2-(1H-benzimidazol-2-ylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 2-(1H-benzimidazol-2-ylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: 2-(1H-benzimidazol-2-ylmethyl)-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-(1H-benzimidazol-2-ylmethyl)-4-oxo-1H-quinazoline-7-carboxylate IUPAC Name: 2-(1H-benzimidazol-2-ylmethyl)-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-(1H-benzimidazol-2-ylmethyl)-4-keto-1H-quinazoline-7-carboxylate Formula: C17H11N4O3- MolecularWeight: 319.29424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C17H12N4O3/c22-16-10-6-5-9(17(23)24)7-13(10)20-15(21-16)8-14-18-11-3-1-2-4-12(11)19-14/h1-7H,8H2,(H,18,19)(H,23,24)(H,20,21,22)/p-1