3-(4,7-dimethyl-2-oxidanylidene-chromen-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanimidate

Systemtic Name: 3-(4,7-dimethyl-2-oxidanylidene-chromen-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanimidate Openeye Name: 3-(4,7-dimethyl-2-oxo-chromen-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanimidate CAS Name: 3-(4,7-dimethyl-2-oxo-1-benzopyran-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanimidate IUPAC Name: 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanimidate Traditional Name: 3-(2-keto-4,7-dimethyl-chromen-3-yl)-N-(1H-1,2,4-triazol-5-yl)propionimidate Formula: C16H15N4O3- MolecularWeight: 311.3153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(C(=O)O2)CCC(=NC3=NC=NN3)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(C(=O)O2)CCC(=NC3=NC=NN3)[O-])C

InChI

InChI=1S/C16H16N4O3/c1-9-3-4-11-10(2)12(15(22)23-13(11)7-9)5-6-14(21)19-16-17-8-18-20-16/h3-4,7-8H,5-6H2,1-2H3,(H2,17,18,19,20,21)/p-1