3-[2-[di(propan-2-yl)azaniumyl]ethyl]-7-methoxycarbonyl-4-oxidanylidene-quinazolin-2-olate

Systemtic Name: 3-[2-[di(propan-2-yl)azaniumyl]ethyl]-7-methoxycarbonyl-4-oxidanylidene-quinazolin-2-olate Openeye Name: 3-[2-(diisopropylammonio)ethyl]-7-methoxycarbonyl-4-oxo-quinazolin-2-olate CAS Name: 3-[2-[di(propan-2-yl)ammonio]ethyl]-7-methoxycarbonyl-4-oxo-2-quinazolinolate IUPAC Name: 3-[2-[di(propan-2-yl)azaniumyl]ethyl]-7-methoxycarbonyl-4-oxoquinazolin-2-olate Traditional Name: 7-carbomethoxy-3-[2-(diisopropylammonio)ethyl]-4-keto-quinazolin-2-olate Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1[O-])C(C)C

Isomeric SMILES

CC(C)[NH+](CCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1[O-])C(C)C

InChI

InChI=1S/C18H25N3O4/c1-11(2)20(12(3)4)8-9-21-16(22)14-7-6-13(17(23)25-5)10-15(14)19-18(21)24/h6-7,10-12H,8-9H2,1-5H3,(H,19,24)