4-[1-(2-methylphenyl)ethylamino]-3-nitro-benzoic acid

Systemtic Name: 4-[1-(2-methylphenyl)ethylamino]-3-nitro-benzoic acid Openeye Name: 3-nitro-4-[1-(o-tolyl)ethylamino]benzoic acid CAS Name: 4-[1-(2-methylphenyl)ethylamino]-3-nitrobenzoic acid IUPAC Name: 4-[1-(2-methylphenyl)ethylamino]-3-nitrobenzoic acid Traditional Name: 3-nitro-4-[1-(o-tolyl)ethylamino]benzoic acid Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(C)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O4/c1-10-5-3-4-6-13(10)11(2)17-14-8-7-12(16(19)20)9-15(14)18(21)22/h3-9,11,17H,1-2H3,(H,19,20)