[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: [2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-(2-methoxy-5-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-keto-2-(2-methoxy-5-methyl-anilino)ethyl] ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c1-12-3-8-18(28-2)16(9-12)22-19(24)11-29-20(25)13-4-7-15(21-14-5-6-14)17(10-13)23(26)27/h3-4,7-10,14,21H,5-6,11H2,1-2H3,(H,22,24)