N-[2-[(3,4-dichlorophenyl)amino]-6-nitro-4-oxidanylidene-1H-quinazolin-8-yl]-5-phenyl-pentanamide

Systemtic Name: N-[2-[(3,4-dichlorophenyl)amino]-6-nitro-4-oxidanylidene-1H-quinazolin-8-yl]-5-phenyl-pentanamide Openeye Name: N-[2-(3,4-dichloroanilino)-6-nitro-4-oxo-1H-quinazolin-8-yl]-5-phenyl-pentanamide CAS Name: N-[2-(3,4-dichloroanilino)-6-nitro-4-oxo-1H-quinazolin-8-yl]-5-phenylpentanamide IUPAC Name: N-[2-(3,4-dichloroanilino)-6-nitro-4-oxo-1H-quinazolin-8-yl]-5-phenylpentanamide Traditional Name: N-[2-(3,4-dichloroanilino)-4-keto-6-nitro-1H-quinazolin-8-yl]-5-phenyl-valeramide Formula: C25H21Cl2N5O4 MolecularWeight: 526.37134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC(=O)NC2=C3C(=CC(=C2)[N+](=O)[O-])C(=O)N=C(N3)NC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCCC(=O)NC2=C3C(=CC(=C2)[N+](=O)[O-])C(=O)N=C(N3)NC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C25H21Cl2N5O4/c26-19-11-10-16(12-20(19)27)28-25-30-23-18(24(34)31-25)13-17(32(35)36)14-21(23)29-22(33)9-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,10-14H,4-5,8-9H2,(H,29,33)(H2,28,30,31,34)