[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 3-(3,5-dimethylisoxazol-4-yl)propanoate CAS Name: 3-(3,5-dimethyl-4-isoxazolyl)propanoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate Traditional Name: 3-(3,5-dimethylisoxazol-4-yl)propionic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CCC(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)CCC(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O6/c1-10-14(11(2)25-18-10)6-7-16(21)24-9-15(20)17-12-4-3-5-13(8-12)19(22)23/h3-5,8H,6-7,9H2,1-2H3,(H,17,20)