[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] 2-methyl-6-nitro-benzoate

Systemtic Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] 2-methyl-6-nitro-benzoate Openeye Name: [2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl] ester Formula: C14H13N3O6 MolecularWeight: 319.26952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=NOC(=C2)C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=NOC(=C2)C

InChI

InChI=1S/C14H13N3O6/c1-8-4-3-5-10(17(20)21)13(8)14(19)22-7-12(18)15-11-6-9(2)23-16-11/h3-6H,7H2,1-2H3,(H,15,16,18)