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

Systemtic Name: ethyl 3-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[1-(1H-benzimidazol-2-yl)ethylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C19H18N4O5 MolecularWeight: 382.37002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC(C)C2=NC3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC(C)C2=NC3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O5/c1-3-28-19(25)13-8-12(9-14(10-13)23(26)27)18(24)20-11(2)17-21-15-6-4-5-7-16(15)22-17/h4-11H,3H2,1-2H3,(H,20,24)(H,21,22)