[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-methylpentanoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-methylpentanoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 4-methylpentanoate CAS Name: 4-methylpentanoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 4-methylpentanoate Traditional Name: 4-methylvaleric acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-10(2)6-7-14(18)21-9-13(17)15-11-4-3-5-12(8-11)16(19)20/h3-5,8,10H,6-7,9H2,1-2H3,(H,15,17)