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

Systemtic Name: ethyl 3-[[4-(1-methylimidazol-2-yl)carbonylphenyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 3-[[4-(1-methylimidazole-2-carbonyl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(1-methylimidazole-2-carbonyl)phenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H18N4O6 MolecularWeight: 422.39082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)C3=NC=CN3C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)C3=NC=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O6/c1-3-31-21(28)15-10-14(11-17(12-15)25(29)30)20(27)23-16-6-4-13(5-7-16)18(26)19-22-8-9-24(19)2/h4-12H,3H2,1-2H3,(H,23,27)