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

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] pentanoate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl] pentanoate CAS Name: pentanoic acid [2-(2-chloro-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl] pentanoate Traditional Name: valeric acid [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl] ester Formula: C13H15ClN2O5 MolecularWeight: 314.7216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O5/c1-2-3-4-13(18)21-8-12(17)15-11-6-5-9(16(19)20)7-10(11)14/h5-7H,2-4,8H2,1H3,(H,15,17)