[1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] butanoate

Systemtic Name: [1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] butanoate Openeye Name: [2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl] butanoate CAS Name: butanoic acid [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] butanoate Traditional Name: butyric acid [2-(2-chloro-5-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C13H15ClN2O5 MolecularWeight: 314.7216

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(C)C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CCCC(=O)OC(C)C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

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