4-[[3,6-bis(oxidanylidene)-4-phenoxy-cyclohexa-1,4-dien-1-yl]amino]-6-methoxy-7-(2-methoxyethoxy)quinoline-3-carbonitrile

Systemtic Name: 4-[[3,6-bis(oxidanylidene)-4-phenoxy-cyclohexa-1,4-dien-1-yl]amino]-6-methoxy-7-(2-methoxyethoxy)quinoline-3-carbonitrile Openeye Name: 4-[(3,6-dioxo-4-phenoxy-cyclohexa-1,4-dien-1-yl)amino]-6-methoxy-7-(2-methoxyethoxy)quinoline-3-carbonitrile CAS Name: 4-[(3,6-dioxo-4-phenoxy-1-cyclohexa-1,4-dienyl)amino]-6-methoxy-7-(2-methoxyethoxy)-3-quinolinecarbonitrile IUPAC Name: 4-[(3,6-dioxo-4-phenoxycyclohexa-1,4-dien-1-yl)amino]-6-methoxy-7-(2-methoxyethoxy)quinoline-3-carbonitrile Traditional Name: 4-[(3,6-diketo-4-phenoxy-cyclohexa-1,4-dien-1-yl)amino]-6-methoxy-7-(2-methoxyethoxy)quinoline-3-carbonitrile Formula: C26H21N3O6 MolecularWeight: 471.46144

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=O)C(=CC3=O)OC4=CC=CC=C4)C#N)OC

Isomeric SMILES

COCCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=O)C(=CC3=O)OC4=CC=CC=C4)C#N)OC

InChI

InChI=1S/C26H21N3O6/c1-32-8-9-34-25-12-19-18(10-24(25)33-2)26(16(14-27)15-28-19)29-20-11-22(31)23(13-21(20)30)35-17-6-4-3-5-7-17/h3-7,10-13,15H,8-9H2,1-2H3,(H,28,29)