methyl 2-[(1-methylbenzimidazol-4-yl)amino]-3-nitro-benzoate

Systemtic Name: methyl 2-[(1-methylbenzimidazol-4-yl)amino]-3-nitro-benzoate Openeye Name: methyl 2-[(1-methylbenzimidazol-4-yl)amino]-3-nitro-benzoate CAS Name: 2-[(1-methyl-4-benzimidazolyl)amino]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(1-methylbenzimidazol-4-yl)amino]-3-nitrobenzoate Traditional Name: 2-[(1-methylbenzimidazol-4-yl)amino]-3-nitro-benzoic acid methyl ester Formula: C16H14N4O4 MolecularWeight: 326.30676

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C=CC=C2NC3=C(C=CC=C3[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN1C=NC2=C1C=CC=C2NC3=C(C=CC=C3[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H14N4O4/c1-19-9-17-15-11(6-4-7-12(15)19)18-14-10(16(21)24-2)5-3-8-13(14)20(22)23/h3-9,18H,1-2H3