ethyl 2-methyl-3-[(4-nitrophenyl)methyl]benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-methyl-3-[(4-nitrophenyl)methyl]benzimidazole-5-carboxylate Openeye Name: ethyl 2-methyl-3-[(4-nitrophenyl)methyl]benzimidazole-5-carboxylate CAS Name: 2-methyl-3-[(4-nitrophenyl)methyl]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-3-[(4-nitrophenyl)methyl]benzimidazole-5-carboxylate Traditional Name: 2-methyl-3-(4-nitrobenzyl)benzimidazole-5-carboxylic acid ethyl ester Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(N2CC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N2CC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H17N3O4/c1-3-25-18(22)14-6-9-16-17(10-14)20(12(2)19-16)11-13-4-7-15(8-5-13)21(23)24/h4-10H,3,11H2,1-2H3