[4-(2-chloranyl-6-nitro-phenoxy)phenyl]methyl 3-[4-methyl-1,3-bis(oxidanylidene)pyrrolo[3,4-c]quinolin-2-yl]benzoate

Systemtic Name: [4-(2-chloranyl-6-nitro-phenoxy)phenyl]methyl 3-[4-methyl-1,3-bis(oxidanylidene)pyrrolo[3,4-c]quinolin-2-yl]benzoate Openeye Name: [4-(2-chloro-6-nitro-phenoxy)phenyl]methyl 3-(4-methyl-1,3-dioxo-pyrrolo[3,4-c]quinolin-2-yl)benzoate CAS Name: 3-(4-methyl-1,3-dioxo-2-pyrrolo[3,4-c]quinolinyl)benzoic acid [4-(2-chloro-6-nitrophenoxy)phenyl]methyl ester IUPAC Name: [4-(2-chloro-6-nitrophenoxy)phenyl]methyl 3-(4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzoate Traditional Name: 3-(1,3-diketo-4-methyl-pyrrolo[3,4-c]quinolin-2-yl)benzoic acid [4-(2-chloro-6-nitro-phenoxy)benzyl] ester Formula: C32H20ClN3O7 MolecularWeight: 593.9701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C3=C1C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)OCC5=CC=C(C=C5)OC6=C(C=CC=C6Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C3=C1C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)OCC5=CC=C(C=C5)OC6=C(C=CC=C6Cl)[N+](=O)[O-]

InChI

InChI=1S/C32H20ClN3O7/c1-18-27-28(23-8-2-3-10-25(23)34-18)31(38)35(30(27)37)21-7-4-6-20(16-21)32(39)42-17-19-12-14-22(15-13-19)43-29-24(33)9-5-11-26(29)36(40)41/h2-16H,17H2,1H3