[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] pentanoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] pentanoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] pentanoate CAS Name: pentanoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] pentanoate Traditional Name: valeric acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c1-2-3-7-13(17)20-9-12(16)14-10-5-4-6-11(8-10)15(18)19/h4-6,8H,2-3,7,9H2,1H3,(H,14,16)