[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2,2-dimethylpropanoylamino)propanoate

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2,2-dimethylpropanoylamino)propanoate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl] 2-(2,2-dimethylpropanoylamino)propanoate CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]propanoic acid [2-(2-chloro-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)propanoate Traditional Name: 2-(pivaloylamino)propionic acid [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl] ester Formula: C16H20ClN3O6 MolecularWeight: 385.7995

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3O6/c1-9(18-15(23)16(2,3)4)14(22)26-8-13(21)19-12-6-5-10(20(24)25)7-11(12)17/h5-7,9H,8H2,1-4H3,(H,18,23)(H,19,21)