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

Systemtic Name: ethyl 3-(2-methylbutanoylamino)-4-nitro-benzoate Openeye Name: ethyl 3-(2-methylbutanoylamino)-4-nitro-benzoate CAS Name: 3-[(2-methyl-1-oxobutyl)amino]-4-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-(2-methylbutanoylamino)-4-nitrobenzoate Traditional Name: 3-(2-methylbutanoylamino)-4-nitro-benzoic acid ethyl ester Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-4-9(3)13(17)15-11-8-10(14(18)21-5-2)6-7-12(11)16(19)20/h6-9H,4-5H2,1-3H3,(H,15,17)