3-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azaniumyl]benzoate

Systemtic Name: 3-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azaniumyl]benzoate Openeye Name: 3-[(2-methylbenzofuro[3,2-d]pyrimidin-4-yl)ammonio]benzoate CAS Name: 3-[(2-methyl-4-benzofuro[3,2-d]pyrimidinyl)ammonio]benzoate IUPAC Name: 3-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azaniumyl]benzoate Traditional Name: 3-[(2-methylbenzofuro[3,2-d]pyrimidin-4-yl)ammonio]benzoate Formula: C18H13N3O3 MolecularWeight: 319.31412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)[NH2+]C3=CC=CC(=C3)C(=O)[O-])OC4=CC=CC=C42

Isomeric SMILES

CC1=NC2=C(C(=N1)[NH2+]C3=CC=CC(=C3)C(=O)[O-])OC4=CC=CC=C42

InChI

InChI=1S/C18H13N3O3/c1-10-19-15-13-7-2-3-8-14(13)24-16(15)17(20-10)21-12-6-4-5-11(9-12)18(22)23/h2-9H,1H3,(H,22,23)(H,19,20,21)