[1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-acetamidopropanoate

Systemtic Name: [1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-acetamidopropanoate Openeye Name: [2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-acetamidopropanoate CAS Name: 2-acetamidopropanoic acid [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 2-acetamidopropanoate Traditional Name: 2-acetamidopropionic acid [2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C14H16ClN3O6 MolecularWeight: 357.74634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN3O6/c1-7(16-9(3)19)14(21)24-8(2)13(20)17-12-5-4-10(18(22)23)6-11(12)15/h4-8H,1-3H3,(H,16,19)(H,17,20)