[(2E)-2-[(2Z,4S)-2-[(2E)-2-[(1R,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-oxidanyl-cyclohexylidene]ethyl] 2-[(4-azido-2-nitro-phenyl)amino]ethanoate

Systemtic Name: [(2E)-2-[(2Z,4S)-2-[(2E)-2-[(1R,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-oxidanyl-cyclohexylidene]ethyl] 2-[(4-azido-2-nitro-phenyl)amino]ethanoate Openeye Name: [(2E)-2-[(2Z,4S)-2-[(2E)-2-[(1R,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-hydroxy-cyclohexylidene]ethyl] 2-(4-azido-2-nitro-anilino)acetate CAS Name: 2-(4-azido-2-nitroanilino)acetic acid [(2E)-2-[(2Z,4S)-2-[(2E)-2-[(1R,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-hydroxycyclohexylidene]ethyl] ester IUPAC Name: [(2E)-2-[(2Z,4S)-2-[(2E)-2-[(1R,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-hydroxycyclohexylidene]ethyl] 2-(4-azido-2-nitroanilino)acetate Traditional Name: 2-(4-azido-2-nitro-anilino)acetic acid [(2E)-2-[(2Z,4S)-2-[(2E)-2-[(1R,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-hydroxy-cyclohexylidene]ethyl] ester Formula: C36H51N5O6 MolecularWeight: 649.82004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=CCOC(=O)CNC4=C(C=C(C=C4)N=[N+]=[N-])[N+](=O)[O-])O)C

Isomeric SMILES

C[C@H](CCCC(C)(C)O)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CC\C3=C/COC(=O)CNC4=C(C=C(C=C4)N=[N+]=[N-])[N+](=O)[O-])O)C

InChI

InChI=1S/C36H51N5O6/c1-24(7-5-18-35(2,3)44)30-14-15-31-26(8-6-19-36(30,31)4)9-10-27-21-29(42)13-11-25(27)17-20-47-34(43)23-38-32-16-12-28(39-40-37)22-33(32)41(45)46/h9-10,12,16-17,22,24,29-31,38,42,44H,5-8,11,13-15,18-21,23H2,1-4H3/b25-17+,26-9+,27-10-/t24-,29+,30-,31?,36-/m1/s1