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

Systemtic Name: 2-[4-[1-(2-methylphenyl)ethylamino]-3-nitro-phenyl]carbonylbenzoic acid Openeye Name: 2-[3-nitro-4-[1-(o-tolyl)ethylamino]benzoyl]benzoic acid CAS Name: 2-[[4-[1-(2-methylphenyl)ethylamino]-3-nitrophenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-[1-(2-methylphenyl)ethylamino]-3-nitrobenzoyl]benzoic acid Traditional Name: 2-[3-nitro-4-[1-(o-tolyl)ethylamino]benzoyl]benzoic acid Formula: C23H20N2O5 MolecularWeight: 404.4153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(C)NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O5/c1-14-7-3-4-8-17(14)15(2)24-20-12-11-16(13-21(20)25(29)30)22(26)18-9-5-6-10-19(18)23(27)28/h3-13,15,24H,1-2H3,(H,27,28)