[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] butanoate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] butanoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] butanoate CAS Name: butanoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] butanoate Traditional Name: butyric acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(=O)NC1=CC(=C(C=C1)C)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)OCC(=O)NC1=CC(=C(C=C1)C)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5/c1-3-4-13(17)20-8-12(16)14-10-6-5-9(2)11(7-10)15(18)19/h5-7H,3-4,8H2,1-2H3,(H,14,16)