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

Systemtic Name: 2-chloranyl-N-(7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinazolin-2-yl)-3-nitro-benzamide Openeye Name: 2-chloro-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-nitro-benzamide CAS Name: 2-chloro-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-nitrobenzamide IUPAC Name: 2-chloro-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-nitrobenzamide Traditional Name: 2-chloro-N-(5-keto-7,7-dimethyl-6,8-dihydroquinazolin-2-yl)-3-nitro-benzamide Formula: C17H15ClN4O4 MolecularWeight: 374.7784

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=NC(=NC=C2C(=O)C1)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1(CC2=NC(=NC=C2C(=O)C1)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C17H15ClN4O4/c1-17(2)6-11-10(13(23)7-17)8-19-16(20-11)21-15(24)9-4-3-5-12(14(9)18)22(25)26/h3-5,8H,6-7H2,1-2H3,(H,19,20,21,24)