3-chloranyl-4-nitro-N-(4,7,7-trimethyl-5-oxidanylidene-6,8-dihydroquinazolin-2-yl)benzamide

Systemtic Name: 3-chloranyl-4-nitro-N-(4,7,7-trimethyl-5-oxidanylidene-6,8-dihydroquinazolin-2-yl)benzamide Openeye Name: 3-chloro-4-nitro-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)benzamide CAS Name: 3-chloro-4-nitro-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)benzamide IUPAC Name: 3-chloro-4-nitro-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)benzamide Traditional Name: 3-chloro-N-(5-keto-4,7,7-trimethyl-6,8-dihydroquinazolin-2-yl)-4-nitro-benzamide Formula: C18H17ClN4O4 MolecularWeight: 388.80498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C(=O)CC(C2)(C)C)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=NC(=NC2=C1C(=O)CC(C2)(C)C)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H17ClN4O4/c1-9-15-12(7-18(2,3)8-14(15)24)21-17(20-9)22-16(25)10-4-5-13(23(26)27)11(19)6-10/h4-6H,7-8H2,1-3H3,(H,20,21,22,25)