methyl 4-(2-methylpropanoylamino)-3-nitro-2-oxidanyl-benzoate

Systemtic Name: methyl 4-(2-methylpropanoylamino)-3-nitro-2-oxidanyl-benzoate Openeye Name: methyl 2-hydroxy-4-(2-methylpropanoylamino)-3-nitro-benzoate CAS Name: 2-hydroxy-4-[(2-methyl-1-oxopropyl)amino]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-4-(2-methylpropanoylamino)-3-nitrobenzoate Traditional Name: 2-hydroxy-4-(isobutyrylamino)-3-nitro-benzoic acid methyl ester Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(C(=C(C=C1)C(=O)OC)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=C(C(=C(C=C1)C(=O)OC)O)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O6/c1-6(2)11(16)13-8-5-4-7(12(17)20-3)10(15)9(8)14(18)19/h4-6,15H,1-3H3,(H,13,16)