(2E)-2-(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-6-nitro-1H-quinazolin-4-one

Systemtic Name: (2E)-2-(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-6-nitro-1H-quinazolin-4-one Openeye Name: (2E)-2-(3-chloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-6-nitro-1H-quinazolin-4-one CAS Name: (2E)-2-(3-chloro-6-oxo-1-cyclohexa-2,4-dienylidene)-6-nitro-1H-quinazolin-4-one IUPAC Name: (2E)-2-(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)-6-nitro-1H-quinazolin-4-one Traditional Name: (2E)-2-(3-chloro-6-keto-cyclohexa-2,4-dien-1-ylidene)-6-nitro-1H-quinazolin-4-one Formula: C14H8ClN3O4 MolecularWeight: 317.68402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)NC(=C3C=C(C=CC3=O)Cl)N2

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N/C(=C/3\C=C(C=CC3=O)Cl)/N2

InChI

InChI=1S/C14H8ClN3O4/c15-7-1-4-12(19)10(5-7)13-16-11-3-2-8(18(21)22)6-9(11)14(20)17-13/h1-6,16H,(H,17,20)/b13-10+