4-[(4S,4aR)-3-cycloheptyloxycarbonyl-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinolin-4-yl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(4S,4aR)-3-cycloheptyloxycarbonyl-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinolin-4-yl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(4S,4aR)-3-(cycloheptoxycarbonyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinolin-4-yl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(4S,4aR)-3-[cycloheptyloxy(oxo)methyl]-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinolin-4-yl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(4S,4aR)-3-cycloheptyloxycarbonyl-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinolin-4-yl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(4S,4aR)-3-(cycloheptoxycarbonyl)-5-keto-2-methyl-4a,6,7,8-tetrahydro-4H-quinolin-4-yl]-2-methoxy-6-nitro-phenolate Formula: C25H29N2O7- MolecularWeight: 469.50696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=N1)CCCC2=O)C3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-])C(=O)OC4CCCCCC4

Isomeric SMILES

CC1=C([C@@H]([C@@H]2C(=N1)CCCC2=O)C3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-])C(=O)OC4CCCCCC4

InChI

InChI=1S/C25H30N2O7/c1-14-21(25(30)34-16-8-5-3-4-6-9-16)22(23-17(26-14)10-7-11-19(23)28)15-12-18(27(31)32)24(29)20(13-15)33-2/h12-13,16,22-23,29H,3-11H2,1-2H3/p-1/t22-,23+/m0/s1