3-[2-[(5-bromanyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl]benzoic acid

Systemtic Name: 3-[2-[(5-bromanyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl]benzoic acid Openeye Name: 3-[2-[(5-bromo-2-oxo-indolin-3-ylidene)methyl]-4-oxo-4aH-quinazolin-3-ium-3-yl]benzoic acid CAS Name: 3-[2-[(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-4-oxo-4aH-quinazolin-3-ium-3-yl]benzoic acid IUPAC Name: 3-[2-[(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-4-oxo-4aH-quinazolin-3-ium-3-yl]benzoic acid Traditional Name: 3-[2-[(5-bromo-2-keto-indolin-3-ylidene)methyl]-4-keto-4aH-quinazolin-3-ium-3-yl]benzoic acid Formula: C24H15BrN3O4+ MolecularWeight: 489.2976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(=NC(=[N+](C2=O)C3=CC=CC(=C3)C(=O)O)C=C4C5=C(C=CC(=C5)Br)NC4=O)C=C1

Isomeric SMILES

C1=CC2C(=NC(=[N+](C2=O)C3=CC=CC(=C3)C(=O)O)C=C4C5=C(C=CC(=C5)Br)NC4=O)C=C1

InChI

InChI=1S/C24H14BrN3O4/c25-14-8-9-20-17(11-14)18(22(29)27-20)12-21-26-19-7-2-1-6-16(19)23(30)28(21)15-5-3-4-13(10-15)24(31)32/h1-12,16H,(H,31,32)/p+1