4-imidazol-1-yl-5-nitro-2-[[4-(3-phenylpropyl)phenyl]amino]benzoic acid

Systemtic Name: 4-imidazol-1-yl-5-nitro-2-[[4-(3-phenylpropyl)phenyl]amino]benzoic acid Openeye Name: 4-imidazol-1-yl-5-nitro-2-[4-(3-phenylpropyl)anilino]benzoic acid CAS Name: 4-(1-imidazolyl)-5-nitro-2-[4-(3-phenylpropyl)anilino]benzoic acid IUPAC Name: 4-imidazol-1-yl-5-nitro-2-[4-(3-phenylpropyl)anilino]benzoic acid Traditional Name: 4-imidazol-1-yl-5-nitro-2-[4-(3-phenylpropyl)anilino]benzoic acid Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC2=CC=C(C=C2)NC3=CC(=C(C=C3C(=O)O)[N+](=O)[O-])N4C=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CCCC2=CC=C(C=C2)NC3=CC(=C(C=C3C(=O)O)[N+](=O)[O-])N4C=CN=C4

InChI

InChI=1S/C25H22N4O4/c30-25(31)21-15-24(29(32)33)23(28-14-13-26-17-28)16-22(21)27-20-11-9-19(10-12-20)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-17,27H,4,7-8H2,(H,30,31)