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

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-azanyl-3-methyl-1,2-oxazole-4-carboxylate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 5-amino-3-methyl-isoxazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isoxazolecarboxylic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isoxazole-4-carboxylic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C14H14N4O6 MolecularWeight: 334.28416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O6/c1-7-11(12(15)24-17-7)14(20)23-8(2)13(19)16-9-3-5-10(6-4-9)18(21)22/h3-6,8H,15H2,1-2H3,(H,16,19)