3-(2-methylbutanoylamino)-4-(1-nitroethyl)benzoic acid

Systemtic Name: 3-(2-methylbutanoylamino)-4-(1-nitroethyl)benzoic acid Openeye Name: 3-(2-methylbutanoylamino)-4-(1-nitroethyl)benzoic acid CAS Name: 3-[(2-methyl-1-oxobutyl)amino]-4-(1-nitroethyl)benzoic acid IUPAC Name: 3-(2-methylbutanoylamino)-4-(1-nitroethyl)benzoic acid Traditional Name: 3-(2-methylbutanoylamino)-4-(1-nitroethyl)benzoic acid 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)O)C(C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-4-8(2)13(17)15-12-7-10(14(18)19)5-6-11(12)9(3)16(20)21/h5-9H,4H2,1-3H3,(H,15,17)(H,18,19)