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

Systemtic Name: methyl 4-imidazol-1-yl-5-nitro-2-[[4-(3-phenylpropyl)phenyl]amino]benzoate Openeye Name: methyl 4-imidazol-1-yl-5-nitro-2-[4-(3-phenylpropyl)anilino]benzoate CAS Name: 4-(1-imidazolyl)-5-nitro-2-[4-(3-phenylpropyl)anilino]benzoic acid methyl ester IUPAC Name: methyl 4-imidazol-1-yl-5-nitro-2-[4-(3-phenylpropyl)anilino]benzoate Traditional Name: 4-imidazol-1-yl-5-nitro-2-[4-(3-phenylpropyl)anilino]benzoic acid methyl ester Formula: C26H24N4O4 MolecularWeight: 456.49316

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1NC2=CC=C(C=C2)CCCC3=CC=CC=C3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1NC2=CC=C(C=C2)CCCC3=CC=CC=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H24N4O4/c1-34-26(31)22-16-25(30(32)33)24(29-15-14-27-18-29)17-23(22)28-21-12-10-20(11-13-21)9-5-8-19-6-3-2-4-7-19/h2-4,6-7,10-18,28H,5,8-9H2,1H3