[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] pentanoate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] pentanoate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] pentanoate CAS Name: pentanoic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] pentanoate Traditional Name: valeric acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-3-4-8-13(18)21-9-12(17)15-14-10(2)6-5-7-11(14)16(19)20/h5-7H,3-4,8-9H2,1-2H3,(H,15,17)