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

Systemtic Name: N-(7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinazolin-2-yl)-3-nitro-benzamide Openeye Name: N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-nitro-benzamide CAS Name: N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-nitrobenzamide IUPAC Name: N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-nitrobenzamide Traditional Name: N-(5-keto-7,7-dimethyl-6,8-dihydroquinazolin-2-yl)-3-nitro-benzamide Formula: C17H16N4O4 MolecularWeight: 340.33334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O4/c1-17(2)7-13-12(14(22)8-17)9-18-16(19-13)20-15(23)10-4-3-5-11(6-10)21(24)25/h3-6,9H,7-8H2,1-2H3,(H,18,19,20,23)