2-chloranyl-N-(2-cyclohexyl-4-oxidanylidene-quinazolin-3-yl)-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-(2-cyclohexyl-4-oxidanylidene-quinazolin-3-yl)-4-nitro-benzamide Openeye Name: 2-chloro-N-(2-cyclohexyl-4-oxo-quinazolin-3-yl)-4-nitro-benzamide CAS Name: 2-chloro-N-(2-cyclohexyl-4-oxo-3-quinazolinyl)-4-nitrobenzamide IUPAC Name: 2-chloro-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-4-nitrobenzamide Traditional Name: 2-chloro-N-(2-cyclohexyl-4-keto-quinazolin-3-yl)-4-nitro-benzamide Formula: C21H19ClN4O4 MolecularWeight: 426.85296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCC(CC1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H19ClN4O4/c22-17-12-14(26(29)30)10-11-15(17)20(27)24-25-19(13-6-2-1-3-7-13)23-18-9-5-4-8-16(18)21(25)28/h4-5,8-13H,1-3,6-7H2,(H,24,27)