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

Systemtic Name: [2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-(4-chloro-2-methoxy-5-methyl-anilino)-2-oxo-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-(4-chloro-2-methoxy-5-methyl-anilino)-2-keto-ethyl] ester Formula: C19H20ClN3O6 MolecularWeight: 421.8316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)COC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)COC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H20ClN3O6/c1-11-7-14(17(28-4)9-13(11)20)21-18(24)10-29-19(25)12-5-6-15(22(2)3)16(8-12)23(26)27/h5-9H,10H2,1-4H3,(H,21,24)