diethyl 3-azanylidene-4-cyano-1-phenyl-pyrrole-2,2-dicarboxylate

Systemtic Name: diethyl 3-azanylidene-4-cyano-1-phenyl-pyrrole-2,2-dicarboxylate Openeye Name: diethyl 4-cyano-3-imino-1-phenyl-pyrrole-2,2-dicarboxylate CAS Name: 4-cyano-3-imino-1-phenylpyrrole-2,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-cyano-3-imino-1-phenylpyrrole-2,2-dicarboxylate Traditional Name: 4-cyano-3-imino-1-phenyl-2-pyrroline-2,2-dicarboxylic acid diethyl ester Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(=N)C(=CN1C2=CC=CC=C2)C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(C(=N)C(=CN1C2=CC=CC=C2)C#N)C(=O)OCC

InChI

InChI=1S/C17H17N3O4/c1-3-23-15(21)17(16(22)24-4-2)14(19)12(10-18)11-20(17)13-8-6-5-7-9-13/h5-9,11,19H,3-4H2,1-2H3