4-[2-[(3,4-dichlorophenyl)amino]-6-nitro-4-oxidanylidene-1H-quinazolin-8-yl]butanamide

Systemtic Name: 4-[2-[(3,4-dichlorophenyl)amino]-6-nitro-4-oxidanylidene-1H-quinazolin-8-yl]butanamide Openeye Name: 4-[2-(3,4-dichloroanilino)-6-nitro-4-oxo-1H-quinazolin-8-yl]butanamide CAS Name: 4-[2-(3,4-dichloroanilino)-6-nitro-4-oxo-1H-quinazolin-8-yl]butanamide IUPAC Name: 4-[2-(3,4-dichloroanilino)-6-nitro-4-oxo-1H-quinazolin-8-yl]butanamide Traditional Name: 4-[2-(3,4-dichloroanilino)-4-keto-6-nitro-1H-quinazolin-8-yl]butyramide Formula: C18H15Cl2N5O4 MolecularWeight: 436.2488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=NC(=O)C3=CC(=CC(=C3N2)CCCC(=O)N)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC2=NC(=O)C3=CC(=CC(=C3N2)CCCC(=O)N)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C18H15Cl2N5O4/c19-13-5-4-10(7-14(13)20)22-18-23-16-9(2-1-3-15(21)26)6-11(25(28)29)8-12(16)17(27)24-18/h4-8H,1-3H2,(H2,21,26)(H2,22,23,24,27)