1-(2-nitrophenyl)-3-[1-(phenylmethyl)benzimidazol-5-yl]urea

Systemtic Name: 1-(2-nitrophenyl)-3-[1-(phenylmethyl)benzimidazol-5-yl]urea Openeye Name: 1-(1-benzylbenzimidazol-5-yl)-3-(2-nitrophenyl)urea CAS Name: 1-(2-nitrophenyl)-3-[1-(phenylmethyl)-5-benzimidazolyl]urea IUPAC Name: 1-(1-benzylbenzimidazol-5-yl)-3-(2-nitrophenyl)urea Traditional Name: 1-(1-benzylbenzimidazol-5-yl)-3-(2-nitrophenyl)urea Formula: C21H17N5O3 MolecularWeight: 387.39138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2C=CC(=C3)NC(=O)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2C=CC(=C3)NC(=O)NC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O3/c27-21(24-17-8-4-5-9-20(17)26(28)29)23-16-10-11-19-18(12-16)22-14-25(19)13-15-6-2-1-3-7-15/h1-12,14H,13H2,(H2,23,24,27)