ethyl (4E)-4-[4-(3-nitrophenyl)-1,2-dihydro-1,2,3-triazol-5-ylidene]pyrrole-2-carboxylate

Systemtic Name: ethyl (4E)-4-[4-(3-nitrophenyl)-1,2-dihydro-1,2,3-triazol-5-ylidene]pyrrole-2-carboxylate Openeye Name: ethyl (4E)-4-[4-(3-nitrophenyl)-1,2-dihydrotriazol-5-ylidene]pyrrole-2-carboxylate CAS Name: (4E)-4-[4-(3-nitrophenyl)-1,2-dihydrotriazol-5-ylidene]-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl (4E)-4-[4-(3-nitrophenyl)-1,2-dihydrotriazol-5-ylidene]pyrrole-2-carboxylate Traditional Name: (4E)-4-[4-(3-nitrophenyl)-1,2-dihydrotriazol-5-ylidene]pyrrole-2-carboxylic acid ethyl ester Formula: C15H13N5O4 MolecularWeight: 327.29482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C2C(=NNN2)C3=CC(=CC=C3)[N+](=O)[O-])C=N1

Isomeric SMILES

CCOC(=O)C1=C/C(=C\2/C(=NNN2)C3=CC(=CC=C3)[N+](=O)[O-])/C=N1

InChI

InChI=1S/C15H13N5O4/c1-2-24-15(21)12-7-10(8-16-12)14-13(17-19-18-14)9-4-3-5-11(6-9)20(22)23/h3-8,18-19H,2H2,1H3/b14-10+