methyl 3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(5-methylisoxazol-3-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(5-methyl-3-isoxazolyl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(5-methylisoxazol-3-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C13H11N3O6 MolecularWeight: 305.24294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H11N3O6/c1-7-3-11(15-22-7)14-12(17)8-4-9(13(18)21-2)6-10(5-8)16(19)20/h3-6H,1-2H3,(H,14,15,17)