[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-benzamidopropanoate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-benzamidopropanoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl] 2-benzamidopropanoate CAS Name: 2-benzamidopropanoic acid [2-(4-methyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxoethyl] 2-benzamidopropanoate Traditional Name: 2-benzamidopropionic acid [2-keto-2-(4-methyl-2-nitro-anilino)ethyl] ester Formula: C19H19N3O6 MolecularWeight: 385.37066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O6/c1-12-8-9-15(16(10-12)22(26)27)21-17(23)11-28-19(25)13(2)20-18(24)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,20,24)(H,21,23)