methyl 4-[[3-[(3-nitrophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-benzoate

Systemtic Name: methyl 4-[[3-[(3-nitrophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-benzoate Openeye Name: methyl 4-[[3-[(3-nitrophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-benzoate CAS Name: 4-[[3-[(3-nitrophenyl)methyl]-4-imidazolyl]methylamino]-2-phenylbenzoic acid methyl ester IUPAC Name: methyl 4-[[3-[(3-nitrophenyl)methyl]imidazol-4-yl]methylamino]-2-phenylbenzoate Traditional Name: 4-[[3-(3-nitrobenzyl)imidazol-4-yl]methylamino]-2-phenyl-benzoic acid methyl ester Formula: C25H22N4O4 MolecularWeight: 442.46658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)NCC2=CN=CN2CC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)NCC2=CN=CN2CC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C25H22N4O4/c1-33-25(30)23-11-10-20(13-24(23)19-7-3-2-4-8-19)27-15-22-14-26-17-28(22)16-18-6-5-9-21(12-18)29(31)32/h2-14,17,27H,15-16H2,1H3