methyl 3-[[4-(1-methylimidazol-2-yl)carbonylphenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-(1-methylimidazol-2-yl)carbonylphenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-(1-methylimidazole-2-carbonyl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-[(1-methyl-2-imidazolyl)-oxomethyl]anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(1-methylimidazole-2-carbonyl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(1-methylimidazole-2-carbonyl)phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H16N4O6 MolecularWeight: 408.36424

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN1C=CN=C1C(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H16N4O6/c1-23-8-7-21-18(23)17(25)12-3-5-15(6-4-12)22-19(26)13-9-14(20(27)30-2)11-16(10-13)24(28)29/h3-11H,1-2H3,(H,22,26)