methyl 3-(1H-benzimidazol-2-ylmethylamino)-4-nitro-benzoate

Systemtic Name: methyl 3-(1H-benzimidazol-2-ylmethylamino)-4-nitro-benzoate Openeye Name: methyl 3-(1H-benzimidazol-2-ylmethylamino)-4-nitro-benzoate CAS Name: 3-(1H-benzimidazol-2-ylmethylamino)-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(1H-benzimidazol-2-ylmethylamino)-4-nitrobenzoate Traditional Name: 3-(1H-benzimidazol-2-ylmethylamino)-4-nitro-benzoic acid methyl ester Formula: C16H14N4O4 MolecularWeight: 326.30676

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])NCC2=NC3=CC=CC=C3N2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])NCC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C16H14N4O4/c1-24-16(21)10-6-7-14(20(22)23)13(8-10)17-9-15-18-11-4-2-3-5-12(11)19-15/h2-8,17H,9H2,1H3,(H,18,19)