ethyl 4-(2-methylpropanoylamino)-3-nitro-benzoate

Systemtic Name: ethyl 4-(2-methylpropanoylamino)-3-nitro-benzoate Openeye Name: ethyl 4-(2-methylpropanoylamino)-3-nitro-benzoate CAS Name: 4-[(2-methyl-1-oxopropyl)amino]-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-(2-methylpropanoylamino)-3-nitrobenzoate Traditional Name: 4-(isobutyrylamino)-3-nitro-benzoic acid ethyl ester Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5/c1-4-20-13(17)9-5-6-10(11(7-9)15(18)19)14-12(16)8(2)3/h5-8H,4H2,1-3H3,(H,14,16)