ethyl 3-[[1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-(1H-benzimidazol-2-yl)-2-phenylethyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C25H22N4O5 MolecularWeight: 458.46598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O5/c1-2-34-25(31)18-13-17(14-19(15-18)29(32)33)24(30)28-22(12-16-8-4-3-5-9-16)23-26-20-10-6-7-11-21(20)27-23/h3-11,13-15,22H,2,12H2,1H3,(H,26,27)(H,28,30)