[2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-thiophen-2-yl-propanoate

Systemtic Name: [2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-thiophen-2-yl-propanoate Openeye Name: [2-(4-chloro-2-nitro-anilino)-2-oxo-ethyl] 3-acetamido-3-(2-thienyl)propanoate CAS Name: 3-acetamido-3-thiophen-2-ylpropanoic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-nitroanilino)-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate Traditional Name: 3-acetamido-3-(2-thienyl)propionic acid [2-(4-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C17H16ClN3O6S MolecularWeight: 425.84344

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)NC1=C(C=C(C=C1)Cl)[N+](=O)[O-])C2=CC=CS2

Isomeric SMILES

CC(=O)NC(CC(=O)OCC(=O)NC1=C(C=C(C=C1)Cl)[N+](=O)[O-])C2=CC=CS2

InChI

InChI=1S/C17H16ClN3O6S/c1-10(22)19-13(15-3-2-6-28-15)8-17(24)27-9-16(23)20-12-5-4-11(18)7-14(12)21(25)26/h2-7,13H,8-9H2,1H3,(H,19,22)(H,20,23)