2-(3-methylbutanoylamino)-5-nitro-benzoic acid

Systemtic Name: 2-(3-methylbutanoylamino)-5-nitro-benzoic acid Openeye Name: 2-(3-methylbutanoylamino)-5-nitro-benzoic acid CAS Name: 2-[(3-methyl-1-oxobutyl)amino]-5-nitrobenzoic acid IUPAC Name: 2-(3-methylbutanoylamino)-5-nitrobenzoic acid Traditional Name: 2-(isovalerylamino)-5-nitro-benzoic acid Formula: C12H14N2O5 MolecularWeight: 266.24996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O5/c1-7(2)5-11(15)13-10-4-3-8(14(18)19)6-9(10)12(16)17/h3-4,6-7H,5H2,1-2H3,(H,13,15)(H,16,17)