4-[3-(4-methoxyphenyl)-2-oxidanylidene-[1,2,4]triazino[2,3-c]quinazolin-6-yl]butanoate

Systemtic Name: 4-[3-(4-methoxyphenyl)-2-oxidanylidene-[1,2,4]triazino[2,3-c]quinazolin-6-yl]butanoate Openeye Name: 4-[3-(4-methoxyphenyl)-2-oxo-[1,2,4]triazino[2,3-c]quinazolin-6-yl]butanoate CAS Name: 4-[3-(4-methoxyphenyl)-2-oxo-[1,2,4]triazino[2,3-c]quinazolin-6-yl]butanoate IUPAC Name: 4-[3-(4-methoxyphenyl)-2-oxo-[1,2,4]triazino[2,3-c]quinazolin-6-yl]butanoate Traditional Name: 4-[2-keto-3-(4-methoxyphenyl)-[1,2,4]triazino[2,3-c]quinazolin-6-yl]butyrate Formula: C21H17N4O4- MolecularWeight: 389.38408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN3C(=NC4=CC=CC=C4C3=NC2=O)CCCC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN3C(=NC4=CC=CC=C4C3=NC2=O)CCCC(=O)[O-]

InChI

InChI=1S/C21H18N4O4/c1-29-14-11-9-13(10-12-14)19-21(28)23-20-15-5-2-3-6-16(15)22-17(25(20)24-19)7-4-8-18(26)27/h2-3,5-6,9-12H,4,7-8H2,1H3,(H,26,27)/p-1