3-[[2-[(3,4-dichlorophenyl)amino]-6-nitro-4-oxidanylidene-1H-quinazolin-8-yl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 3-[[2-[(3,4-dichlorophenyl)amino]-6-nitro-4-oxidanylidene-1H-quinazolin-8-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 3-[[2-(3,4-dichloroanilino)-6-nitro-4-oxo-1H-quinazoline-8-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 3-[[[2-(3,4-dichloroanilino)-6-nitro-4-oxo-1H-quinazolin-8-yl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 3-[[2-(3,4-dichloroanilino)-6-nitro-4-oxo-1H-quinazoline-8-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 3-[[2-(3,4-dichloroanilino)-4-keto-6-nitro-1H-quinazoline-8-carbonyl]amino]cyclohexanecarboxylic acid Formula: C22H19Cl2N5O6 MolecularWeight: 520.32216

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)NC(=O)C2=C3C(=CC(=C2)[N+](=O)[O-])C(=O)N=C(N3)NC4=CC(=C(C=C4)Cl)Cl)C(=O)O

Isomeric SMILES

C1CC(CC(C1)NC(=O)C2=C3C(=CC(=C2)[N+](=O)[O-])C(=O)N=C(N3)NC4=CC(=C(C=C4)Cl)Cl)C(=O)O

InChI

InChI=1S/C22H19Cl2N5O6/c23-16-5-4-12(7-17(16)24)26-22-27-18-14(8-13(29(34)35)9-15(18)20(31)28-22)19(30)25-11-3-1-2-10(6-11)21(32)33/h4-5,7-11H,1-3,6H2,(H,25,30)(H,32,33)(H2,26,27,28,31)