2-[(6R,6aS)-2,3,9,9-tetramethyl-7-oxidanylidene-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-6-yl]-4-nitro-phenolate

Systemtic Name: 2-[(6R,6aS)-2,3,9,9-tetramethyl-7-oxidanylidene-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-6-yl]-4-nitro-phenolate Openeye Name: 2-[(6R,6aS)-2,3,9,9-tetramethyl-7-oxo-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-6-yl]-4-nitro-phenolate CAS Name: 2-[(6R,6aS)-2,3,9,9-tetramethyl-7-oxo-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-6-yl]-4-nitrophenolate IUPAC Name: 2-[(6R,6aS)-2,3,9,9-tetramethyl-7-oxo-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-6-yl]-4-nitrophenolate Traditional Name: 2-[(6R,6aS)-7-keto-2,3,9,9-tetramethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-6-yl]-4-nitro-phenolate Formula: C23H24N3O4- MolecularWeight: 406.45436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)NC3=CC(CC(=O)C3C(N2)C4=C(C=CC(=C4)[N+](=O)[O-])[O-])(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C)NC3=CC(CC(=O)[C@H]3[C@@H](N2)C4=C(C=CC(=C4)[N+](=O)[O-])[O-])(C)C

InChI

InChI=1S/C23H25N3O4/c1-12-7-16-17(8-13(12)2)25-22(15-9-14(26(29)30)5-6-19(15)27)21-18(24-16)10-23(3,4)11-20(21)28/h5-10,21-22,24-25,27H,11H2,1-4H3/p-1/t21-,22-/m0/s1