methyl 4-[[5-(1,3-benzodioxol-5-yl)-1,2,4-triazin-3-yl]amino]butanoate

Systemtic Name: methyl 4-[[5-(1,3-benzodioxol-5-yl)-1,2,4-triazin-3-yl]amino]butanoate Openeye Name: methyl 4-[[5-(1,3-benzodioxol-5-yl)-1,2,4-triazin-3-yl]amino]butanoate CAS Name: 4-[[5-(1,3-benzodioxol-5-yl)-1,2,4-triazin-3-yl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[5-(1,3-benzodioxol-5-yl)-1,2,4-triazin-3-yl]amino]butanoate Traditional Name: 4-[[5-(1,3-benzodioxol-5-yl)-1,2,4-triazin-3-yl]amino]butyric acid methyl ester Formula: C15H16N4O4 MolecularWeight: 316.31194

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC1=NC(=CN=N1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)CCCNC1=NC(=CN=N1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H16N4O4/c1-21-14(20)3-2-6-16-15-18-11(8-17-19-15)10-4-5-12-13(7-10)23-9-22-12/h4-5,7-8H,2-3,6,9H2,1H3,(H,16,18,19)