[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-methylpentanoate

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-methylpentanoate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl] 2-methylpentanoate CAS Name: 2-methylpentanoic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxoethyl] 2-methylpentanoate Traditional Name: 2-methylvaleric acid [2-(4-chloro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C14H17ClN2O5 MolecularWeight: 328.74818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN2O5/c1-3-4-9(2)14(19)22-8-13(18)16-10-5-6-11(15)12(7-10)17(20)21/h5-7,9H,3-4,8H2,1-2H3,(H,16,18)