2-(1H-indol-3-ylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylic acid

Systemtic Name: 2-(1H-indol-3-ylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylic acid Openeye Name: 2-(1H-indol-3-ylmethyl)-4-oxo-1H-quinazoline-7-carboxylic acid CAS Name: 2-(1H-indol-3-ylmethyl)-4-oxo-1H-quinazoline-7-carboxylic acid IUPAC Name: 2-(1H-indol-3-ylmethyl)-4-oxo-1H-quinazoline-7-carboxylic acid Traditional Name: 2-(1H-indol-3-ylmethyl)-4-keto-1H-quinazoline-7-carboxylic acid Formula: C18H13N3O3 MolecularWeight: 319.31412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)O

InChI

InChI=1S/C18H13N3O3/c22-17-13-6-5-10(18(23)24)7-15(13)20-16(21-17)8-11-9-19-14-4-2-1-3-12(11)14/h1-7,9,19H,8H2,(H,23,24)(H,20,21,22)