ethyl 2-[ethanoyl-(4-oxidanylidene-2-propan-2-yl-4aH-quinazolin-3-ium-3-yl)amino]ethanoate

Systemtic Name: ethyl 2-[ethanoyl-(4-oxidanylidene-2-propan-2-yl-4aH-quinazolin-3-ium-3-yl)amino]ethanoate Openeye Name: ethyl 2-[acetyl-(2-isopropyl-4-oxo-4aH-quinazolin-3-ium-3-yl)amino]acetate CAS Name: 2-[acetyl-(4-oxo-2-propan-2-yl-4aH-quinazolin-3-ium-3-yl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[acetyl-(4-oxo-2-propan-2-yl-4aH-quinazolin-3-ium-3-yl)amino]acetate Traditional Name: 2-[acetyl-(2-isopropyl-4-keto-4aH-quinazolin-3-ium-3-yl)amino]acetic acid ethyl ester Formula: C17H22N3O4+ MolecularWeight: 332.37428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C(=O)C)[N+]1=C(N=C2C=CC=CC2C1=O)C(C)C

Isomeric SMILES

CCOC(=O)CN(C(=O)C)[N+]1=C(N=C2C=CC=CC2C1=O)C(C)C

InChI

InChI=1S/C17H22N3O4/c1-5-24-15(22)10-19(12(4)21)20-16(11(2)3)18-14-9-7-6-8-13(14)17(20)23/h6-9,11,13H,5,10H2,1-4H3/q+1