2-[1-chloranyl-2-(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethylidene]-4-oxidanylidene-1H-quinazoline-7-carboxylic acid

Systemtic Name: 2-[1-chloranyl-2-(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethylidene]-4-oxidanylidene-1H-quinazoline-7-carboxylic acid Openeye Name: 2-[1-chloro-2-(3-methoxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)ethylidene]-4-oxo-1H-quinazoline-7-carboxylic acid CAS Name: 2-[1-chloro-2-(3-methoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)ethylidene]-4-oxo-1H-quinazoline-7-carboxylic acid IUPAC Name: 2-[1-chloro-2-(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-4-oxo-1H-quinazoline-7-carboxylic acid Traditional Name: 2-[1-chloro-2-(4-keto-3-methoxy-5-nitro-cyclohexa-2,5-dien-1-ylidene)ethylidene]-4-keto-1H-quinazoline-7-carboxylic acid Formula: C18H12ClN3O7 MolecularWeight: 417.75678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C2NC3=C(C=CC(=C3)C(=O)O)C(=O)N2)Cl)C=C(C1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C2NC3=C(C=CC(=C3)C(=O)O)C(=O)N2)Cl)C=C(C1=O)[N+](=O)[O-]

InChI

InChI=1S/C18H12ClN3O7/c1-29-14-6-8(5-13(15(14)23)22(27)28)4-11(19)16-20-12-7-9(18(25)26)2-3-10(12)17(24)21-16/h2-7,20H,1H3,(H,21,24)(H,25,26)