2-azanyl-4-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]-5-oxidanylidene-7,8-dihydro-6H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]-5-oxidanylidene-7,8-dihydro-6H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-[3-(2,5-dioxopyrrol-1-yl)phenyl]-5-oxo-7,8-dihydro-6H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[3-(2,5-dioxo-1-pyrrolyl)phenyl]-5-oxo-7,8-dihydro-6H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-[3-(2,5-dioxopyrrol-1-yl)phenyl]-5-oxo-7,8-dihydro-6H-quinoline-3-carbonitrile Traditional Name: 2-amino-5-keto-4-(3-maleimidophenyl)-7,8-dihydro-6H-quinoline-3-carbonitrile Formula: C20H14N4O3 MolecularWeight: 358.35016

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)C(=C(C(=N2)N)C#N)C3=CC(=CC=C3)N4C(=O)C=CC4=O

Isomeric SMILES

C1CC2=C(C(=O)C1)C(=C(C(=N2)N)C#N)C3=CC(=CC=C3)N4C(=O)C=CC4=O

InChI

InChI=1S/C20H14N4O3/c21-10-13-18(19-14(23-20(13)22)5-2-6-15(19)25)11-3-1-4-12(9-11)24-16(26)7-8-17(24)27/h1,3-4,7-9H,2,5-6H2,(H2,22,23)