3-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-9-oxidanylidene-2,4-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid

Systemtic Name: 3-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-9-oxidanylidene-2,4-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid Openeye Name: 3-[(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-9-oxo-2,4-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid CAS Name: 3-[(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-9-oxo-2,4-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid IUPAC Name: 3-[(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-9-oxo-2,4-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid Traditional Name: 3-[(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-9-keto-2,4-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid Formula: C20H15BrN2O5 MolecularWeight: 443.2475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C3NC4=C(C=CC(=C4)C(=O)O)C(=O)N3CC2)C=C(C1=O)Br

Isomeric SMILES

COC1=CC(=CC2=C3NC4=C(C=CC(=C4)C(=O)O)C(=O)N3CC2)C=C(C1=O)Br

InChI

InChI=1S/C20H15BrN2O5/c1-28-16-8-10(7-14(21)17(16)24)6-11-4-5-23-18(11)22-15-9-12(20(26)27)2-3-13(15)19(23)25/h2-3,6-9,22H,4-5H2,1H3,(H,26,27)