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

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] pentanoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] pentanoate CAS Name: pentanoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] pentanoate Traditional Name: valeric acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-3-4-5-14(18)21-9-13(17)15-11-7-6-10(2)12(8-11)16(19)20/h6-8H,3-5,9H2,1-2H3,(H,15,17)