(4-aminocarbonyl-2-nitro-phenyl)methyl 5-azanyl-3-methyl-1,2-oxazole-4-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 5-azanyl-3-methyl-1,2-oxazole-4-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 5-amino-3-methyl-isoxazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isoxazolecarboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isoxazole-4-carboxylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C13H12N4O6 MolecularWeight: 320.25758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])N

Isomeric SMILES

CC1=NOC(=C1C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])N

InChI

InChI=1S/C13H12N4O6/c1-6-10(12(15)23-16-6)13(19)22-5-8-3-2-7(11(14)18)4-9(8)17(20)21/h2-4H,5,15H2,1H3,(H2,14,18)