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

Systemtic Name: 2-[4-[1-(2-bromophenyl)ethylamino]-3-nitro-phenyl]carbonylbenzoic acid Openeye Name: 2-[4-[1-(2-bromophenyl)ethylamino]-3-nitro-benzoyl]benzoic acid CAS Name: 2-[[4-[1-(2-bromophenyl)ethylamino]-3-nitrophenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-[1-(2-bromophenyl)ethylamino]-3-nitrobenzoyl]benzoic acid Traditional Name: 2-[4-[1-(2-bromophenyl)ethylamino]-3-nitro-benzoyl]benzoic acid Formula: C22H17BrN2O5 MolecularWeight: 469.28478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Br)NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1Br)NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C22H17BrN2O5/c1-13(15-6-4-5-9-18(15)23)24-19-11-10-14(12-20(19)25(29)30)21(26)16-7-2-3-8-17(16)22(27)28/h2-13,24H,1H3,(H,27,28)