methyl 2-[(1-methylindol-3-yl)carbonyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(1-methylindol-3-yl)carbonyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(1-methylindole-3-carbonyl)oxymethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(1-methyl-3-indolyl)-oxomethoxy]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(1-methylindole-3-carbonyl)oxymethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[(1-methylindole-3-carbonyl)oxymethyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

InChI

InChI=1S/C21H17N3O5/c1-24-10-15(13-5-3-4-6-17(13)24)21(27)29-11-18-22-16-9-12(20(26)28-2)7-8-14(16)19(25)23-18/h3-10H,11H2,1-2H3,(H,22,23,25)