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

Systemtic Name: methyl 2-(1H-benzimidazol-4-ylamino)-3-nitro-benzoate Openeye Name: methyl 2-(1H-benzimidazol-4-ylamino)-3-nitro-benzoate CAS Name: 2-(1H-benzimidazol-4-ylamino)-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(1H-benzimidazol-4-ylamino)-3-nitrobenzoate Traditional Name: 2-(1H-benzimidazol-4-ylamino)-3-nitro-benzoic acid methyl ester Formula: C15H12N4O4 MolecularWeight: 312.28018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])NC2=CC=CC3=C2N=CN3

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])NC2=CC=CC3=C2N=CN3

InChI

InChI=1S/C15H12N4O4/c1-23-15(20)9-4-2-7-12(19(21)22)13(9)18-11-6-3-5-10-14(11)17-8-16-10/h2-8,18H,1H3,(H,16,17)