methyl 3-methyl-2-(4-nitrophenyl)carbonyl-imidazole-4-carboxylate

Systemtic Name: methyl 3-methyl-2-(4-nitrophenyl)carbonyl-imidazole-4-carboxylate Openeye Name: methyl 3-methyl-2-(4-nitrobenzoyl)imidazole-4-carboxylate CAS Name: 3-methyl-2-[(4-nitrophenyl)-oxomethyl]-4-imidazolecarboxylic acid methyl ester IUPAC Name: methyl 3-methyl-2-(4-nitrobenzoyl)imidazole-4-carboxylate Traditional Name: 3-methyl-2-(4-nitrobenzoyl)imidazole-4-carboxylic acid methyl ester Formula: C13H11N3O5 MolecularWeight: 289.24354

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN1C(=CN=C1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H11N3O5/c1-15-10(13(18)21-2)7-14-12(15)11(17)8-3-5-9(6-4-8)16(19)20/h3-7H,1-2H3