4-(1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)-5-oxidanylidene-2-pyrrol-1-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)-5-oxidanylidene-2-pyrrol-1-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)-5-oxo-2-pyrrol-1-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)-5-oxo-2-(1-pyrrolyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)-5-oxo-2-pyrrol-1-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 4-(1,3-benzodioxol-5-yl)-5-keto-1-(3-nitrophenyl)-2-pyrrol-1-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C27H20N4O5 MolecularWeight: 480.4715

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2C3=CC(=CC=C3)[N+](=O)[O-])N4C=CC=C4)C#N)C5=CC6=C(C=C5)OCO6)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(N2C3=CC(=CC=C3)[N+](=O)[O-])N4C=CC=C4)C#N)C5=CC6=C(C=C5)OCO6)C(=O)C1

InChI

InChI=1S/C27H20N4O5/c28-15-20-25(17-9-10-23-24(13-17)36-16-35-23)26-21(7-4-8-22(26)32)30(27(20)29-11-1-2-12-29)18-5-3-6-19(14-18)31(33)34/h1-3,5-6,9-14,25H,4,7-8,16H2