2-[[4-[2-(3-chloranyl-4-methyl-phenyl)ethyl]phenyl]amino]-3-nitro-benzoic acid

Systemtic Name: 2-[[4-[2-(3-chloranyl-4-methyl-phenyl)ethyl]phenyl]amino]-3-nitro-benzoic acid Openeye Name: 2-[4-[2-(3-chloro-4-methyl-phenyl)ethyl]anilino]-3-nitro-benzoic acid CAS Name: 2-[4-[2-(3-chloro-4-methylphenyl)ethyl]anilino]-3-nitrobenzoic acid IUPAC Name: 2-[4-[2-(3-chloro-4-methylphenyl)ethyl]anilino]-3-nitrobenzoic acid Traditional Name: 2-[4-[2-(3-chloro-4-methyl-phenyl)ethyl]anilino]-3-nitro-benzoic acid Formula: C22H19ClN2O4 MolecularWeight: 410.85026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCC2=CC=C(C=C2)NC3=C(C=CC=C3[N+](=O)[O-])C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CCC2=CC=C(C=C2)NC3=C(C=CC=C3[N+](=O)[O-])C(=O)O)Cl

InChI

InChI=1S/C22H19ClN2O4/c1-14-5-6-16(13-19(14)23)8-7-15-9-11-17(12-10-15)24-21-18(22(26)27)3-2-4-20(21)25(28)29/h2-6,9-13,24H,7-8H2,1H3,(H,26,27)