[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: [2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid [2-(2-methoxy-5-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid [2-keto-2-(2-methoxy-5-methyl-anilino)ethyl] ester Formula: C20H23N3O7 MolecularWeight: 417.41252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O7/c1-13-4-7-18(29-3)17(10-13)22-19(24)12-30-20(25)15-11-14(23(26)27)5-6-16(15)21-8-9-28-2/h4-7,10-11,21H,8-9,12H2,1-3H3,(H,22,24)