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

Systemtic Name: [2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-acetamidopropanoate Openeye Name: [2-(4-chloro-2-nitro-anilino)-2-oxo-ethyl] 3-acetamidopropanoate CAS Name: 3-acetamidopropanoic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-nitroanilino)-2-oxoethyl] 3-acetamidopropanoate Traditional Name: 3-acetamidopropionic acid [2-(4-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C13H14ClN3O6 MolecularWeight: 343.71976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN3O6/c1-8(18)15-5-4-13(20)23-7-12(19)16-10-3-2-9(14)6-11(10)17(21)22/h2-3,6H,4-5,7H2,1H3,(H,15,18)(H,16,19)