[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] pentanoate

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] pentanoate Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl] pentanoate CAS Name: pentanoic acid [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] pentanoate Traditional Name: valeric acid [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl] ester Formula: C15H20N2O5 MolecularWeight: 308.3297

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O5/c1-4-5-6-15(19)22-9-14(18)16-12-7-10(2)11(3)8-13(12)17(20)21/h7-8H,4-6,9H2,1-3H3,(H,16,18)