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

Systemtic Name: [1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] pentanoate Openeye Name: [2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl] pentanoate CAS Name: pentanoic acid [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] pentanoate Traditional Name: valeric acid [2-(2-chloro-5-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C14H17ClN2O5 MolecularWeight: 328.74818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN2O5/c1-3-4-5-13(18)22-9(2)14(19)16-12-8-10(17(20)21)6-7-11(12)15/h6-9H,3-5H2,1-2H3,(H,16,19)