methyl 4-[2-(1H-benzimidazol-2-yl)ethylamino]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-(1H-benzimidazol-2-yl)ethylamino]-3-nitro-benzoate Openeye Name: methyl 4-[2-(1H-benzimidazol-2-yl)ethylamino]-3-nitro-benzoate CAS Name: 4-[2-(1H-benzimidazol-2-yl)ethylamino]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(1H-benzimidazol-2-yl)ethylamino]-3-nitrobenzoate Traditional Name: 4-[2-(1H-benzimidazol-2-yl)ethylamino]-3-nitro-benzoic acid methyl ester Formula: C17H16N4O4 MolecularWeight: 340.33334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)NCCC2=NC3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)NCCC2=NC3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O4/c1-25-17(22)11-6-7-14(15(10-11)21(23)24)18-9-8-16-19-12-4-2-3-5-13(12)20-16/h2-7,10,18H,8-9H2,1H3,(H,19,20)