7-chloranyl-2-[[ethyl-[2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl]azaniumyl]methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[[ethyl-[2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl]azaniumyl]methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[ethyl-[2-(4-isopropoxycarbonylanilino)-2-oxo-ethyl]ammonio]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[ethyl-[2-oxo-2-[4-[oxo(propan-2-yloxy)methyl]anilino]ethyl]ammonio]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[ethyl-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azaniumyl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[ethyl-[2-(4-isopropoxycarbonylanilino)-2-keto-ethyl]ammonio]methyl]quinazolin-4-olate Formula: C23H25ClN4O4 MolecularWeight: 456.922

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC(=O)NC3=CC=C(C=C3)C(=O)OC(C)C

Isomeric SMILES

CC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC(=O)NC3=CC=C(C=C3)C(=O)OC(C)C

InChI

InChI=1S/C23H25ClN4O4/c1-4-28(12-20-26-19-11-16(24)7-10-18(19)22(30)27-20)13-21(29)25-17-8-5-15(6-9-17)23(31)32-14(2)3/h5-11,14H,4,12-13H2,1-3H3,(H,25,29)(H,26,27,30)