N-[(E)-2-(4-chlorophenyl)-1-[3-[(2,4-dinitrophenyl)amino]-4-oxidanylidene-quinazolin-2-yl]ethenyl]benzamide

Systemtic Name: N-[(E)-2-(4-chlorophenyl)-1-[3-[(2,4-dinitrophenyl)amino]-4-oxidanylidene-quinazolin-2-yl]ethenyl]benzamide Openeye Name: N-[(E)-2-(4-chlorophenyl)-1-[3-(2,4-dinitroanilino)-4-oxo-quinazolin-2-yl]vinyl]benzamide CAS Name: N-[(E)-2-(4-chlorophenyl)-1-[3-(2,4-dinitroanilino)-4-oxo-2-quinazolinyl]ethenyl]benzamide IUPAC Name: N-[(E)-2-(4-chlorophenyl)-1-[3-(2,4-dinitroanilino)-4-oxoquinazolin-2-yl]ethenyl]benzamide Traditional Name: N-[(E)-2-(4-chlorophenyl)-1-[3-(2,4-dinitroanilino)-4-keto-quinazolin-2-yl]vinyl]benzamide Formula: C29H19ClN6O6 MolecularWeight: 582.95076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4C(=O)N3NC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)Cl)/C3=NC4=CC=CC=C4C(=O)N3NC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C29H19ClN6O6/c30-20-12-10-18(11-13-20)16-25(32-28(37)19-6-2-1-3-7-19)27-31-23-9-5-4-8-22(23)29(38)34(27)33-24-15-14-21(35(39)40)17-26(24)36(41)42/h1-17,33H,(H,32,37)/b25-16+