7-chloranyl-2-[[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-ethyl-azaniumyl]methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-ethyl-azaniumyl]methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]-ethyl-ammonio]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylammonio]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylazaniumyl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]-ethyl-ammonio]methyl]quinazolin-4-olate Formula: C21H21ClN4O4 MolecularWeight: 428.86884

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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=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H21ClN4O4/c1-2-26(11-19-24-16-9-13(22)3-5-15(16)21(28)25-19)12-20(27)23-14-4-6-17-18(10-14)30-8-7-29-17/h3-6,9-10H,2,7-8,11-12H2,1H3,(H,23,27)(H,24,25,28)