[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 5-isopropyl-3-methyl-isoxazole-4-carboxylate CAS Name: 3-methyl-5-propan-2-yl-4-isoxazolecarboxylic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate Traditional Name: 5-isopropyl-3-methyl-isoxazole-4-carboxylic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=NOC(=C1C(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C16H17N3O6/c1-9(2)15-14(10(3)18-25-15)16(21)24-8-13(20)17-11-5-4-6-12(7-11)19(22)23/h4-7,9H,8H2,1-3H3,(H,17,20)