diethyl (3E)-3-(phenylmethylidene)-6,7,8,8a-tetrahydro-5H-cinnoline-1,2-dicarboxylate

Systemtic Name: diethyl (3E)-3-(phenylmethylidene)-6,7,8,8a-tetrahydro-5H-cinnoline-1,2-dicarboxylate Openeye Name: diethyl (3E)-3-benzylidene-6,7,8,8a-tetrahydro-5H-cinnoline-1,2-dicarboxylate CAS Name: (3E)-3-(phenylmethylene)-6,7,8,8a-tetrahydro-5H-cinnoline-1,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl (3E)-3-benzylidene-6,7,8,8a-tetrahydro-5H-cinnoline-1,2-dicarboxylate Traditional Name: (3E)-3-benzal-6,7,8,8a-tetrahydro-5H-cinnoline-1,2-dicarboxylic acid diethyl ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2CCCCC2=CC(=CC3=CC=CC=C3)N1C(=O)OCC

Isomeric SMILES

CCOC(=O)N1C2CCCCC2=C/C(=C\C3=CC=CC=C3)/N1C(=O)OCC

InChI

InChI=1S/C21H26N2O4/c1-3-26-20(24)22-18(14-16-10-6-5-7-11-16)15-17-12-8-9-13-19(17)23(22)21(25)27-4-2/h5-7,10-11,14-15,19H,3-4,8-9,12-13H2,1-2H3/b18-14+