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

Systemtic Name: [2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)benzoate Openeye Name: [2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl] 2-(2-hydroxyethylamino)benzoate CAS Name: 2-(2-hydroxyethylamino)benzoic acid [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate Traditional Name: 2-(2-hydroxyethylamino)benzoic acid [2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl] ester Formula: C19H21N3O7 MolecularWeight: 403.38594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)COC(=O)C2=CC=CC=C2NCCO)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)COC(=O)C2=CC=CC=C2NCCO)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O7/c1-12-9-16(22(26)27)17(28-2)10-15(12)21-18(24)11-29-19(25)13-5-3-4-6-14(13)20-7-8-23/h3-6,9-10,20,23H,7-8,11H2,1-2H3,(H,21,24)