2-[[4-(2-chlorophenyl)phenyl]-ethyl-amino]-5-nitro-benzoic acid

Systemtic Name: 2-[[4-(2-chlorophenyl)phenyl]-ethyl-amino]-5-nitro-benzoic acid Openeye Name: 2-[4-(2-chlorophenyl)-N-ethyl-anilino]-5-nitro-benzoic acid CAS Name: 2-[4-(2-chlorophenyl)-N-ethylanilino]-5-nitrobenzoic acid IUPAC Name: 2-[4-(2-chlorophenyl)-N-ethylanilino]-5-nitrobenzoic acid Traditional Name: 2-[4-(2-chlorophenyl)-N-ethyl-anilino]-5-nitro-benzoic acid Formula: C21H17ClN2O4 MolecularWeight: 396.82368

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C2=CC=CC=C2Cl)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCN(C1=CC=C(C=C1)C2=CC=CC=C2Cl)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H17ClN2O4/c1-2-23(20-12-11-16(24(27)28)13-18(20)21(25)26)15-9-7-14(8-10-15)17-5-3-4-6-19(17)22/h3-13H,2H2,1H3,(H,25,26)