N-[2-chloranyl-5-(2-methyl-4-oxidanylidene-quinazolin-3-yl)phenyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[2-chloranyl-5-(2-methyl-4-oxidanylidene-quinazolin-3-yl)phenyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[2-chloro-5-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-2-methyl-3-nitro-benzamide CAS Name: N-[2-chloro-5-(2-methyl-4-oxo-3-quinazolinyl)phenyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[2-chloro-5-(4-keto-2-methyl-quinazolin-3-yl)phenyl]-2-methyl-3-nitro-benzamide Formula: C23H17ClN4O4 MolecularWeight: 448.85848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)N3C(=NC4=CC=CC=C4C3=O)C)Cl

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)N3C(=NC4=CC=CC=C4C3=O)C)Cl

InChI

InChI=1S/C23H17ClN4O4/c1-13-16(7-5-9-21(13)28(31)32)22(29)26-20-12-15(10-11-18(20)24)27-14(2)25-19-8-4-3-6-17(19)23(27)30/h3-12H,1-2H3,(H,26,29)