diethyl 3-(3-pyrrol-1-ylpropyl)-1,2,4-triazine-5,6-dicarboxylate

Systemtic Name: diethyl 3-(3-pyrrol-1-ylpropyl)-1,2,4-triazine-5,6-dicarboxylate Openeye Name: diethyl 3-(3-pyrrol-1-ylpropyl)-1,2,4-triazine-5,6-dicarboxylate CAS Name: 3-[3-(1-pyrrolyl)propyl]-1,2,4-triazine-5,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-(3-pyrrol-1-ylpropyl)-1,2,4-triazine-5,6-dicarboxylate Traditional Name: 3-(3-pyrrol-1-ylpropyl)-1,2,4-triazine-5,6-dicarboxylic acid diethyl ester Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=NC(=N1)CCCN2C=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N=NC(=N1)CCCN2C=CC=C2)C(=O)OCC

InChI

InChI=1S/C16H20N4O4/c1-3-23-15(21)13-14(16(22)24-4-2)19-18-12(17-13)8-7-11-20-9-5-6-10-20/h5-6,9-10H,3-4,7-8,11H2,1-2H3