dimethyl 5-[[4-(1,2,4-triazol-1-yl)phenyl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-(1,2,4-triazol-1-yl)phenyl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H16N4O5 MolecularWeight: 380.35414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)N3C=NC=N3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)N3C=NC=N3)C(=O)OC

InChI

InChI=1S/C19H16N4O5/c1-27-18(25)13-7-14(19(26)28-2)9-15(8-13)22-17(24)12-3-5-16(6-4-12)23-11-20-10-21-23/h3-11H,1-2H3,(H,22,24)