[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl] ester Formula: C24H21N3O9 MolecularWeight: 495.43824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O9/c1-14-9-10-17(19(11-14)27(32)33)25-23(28)22(15-7-5-4-6-8-15)36-24(29)16-12-20(34-2)21(35-3)13-18(16)26(30)31/h4-13,22H,1-3H3,(H,25,28)