N-(5-chloranyl-2-cyano-phenyl)-2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: N-(5-chloro-2-cyano-phenyl)-2-(7-nitro-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-(5-chloro-2-cyanophenyl)-2-(7-nitro-4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide Traditional Name: N-(5-chloro-2-cyano-phenyl)-2-(4-keto-7-nitro-quinazolin-3-yl)acetamide Formula: C17H10ClN5O4 MolecularWeight: 383.7454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])N=CN(C2=O)CC(=O)NC3=C(C=CC(=C3)Cl)C#N

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])N=CN(C2=O)CC(=O)NC3=C(C=CC(=C3)Cl)C#N

InChI

InChI=1S/C17H10ClN5O4/c18-11-2-1-10(7-19)14(5-11)21-16(24)8-22-9-20-15-6-12(23(26)27)3-4-13(15)17(22)25/h1-6,9H,8H2,(H,21,24)