4-[methyl(pentan-3-yl)amino]-3-nitro-benzoic acid

Systemtic Name: 4-[methyl(pentan-3-yl)amino]-3-nitro-benzoic acid Openeye Name: 4-[1-ethylpropyl(methyl)amino]-3-nitro-benzoic acid CAS Name: 4-[methyl(pentan-3-yl)amino]-3-nitrobenzoic acid IUPAC Name: 4-[methyl(pentan-3-yl)amino]-3-nitrobenzoic acid Traditional Name: 4-[1-ethylpropyl(methyl)amino]-3-nitro-benzoic acid Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4/c1-4-10(5-2)14(3)11-7-6-9(13(16)17)8-12(11)15(18)19/h6-8,10H,4-5H2,1-3H3,(H,16,17)