3-[(3S)-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]-N-(1H-1,2,4-triazol-5-yl)propanimidate

Systemtic Name: 3-[(3S)-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]-N-(1H-1,2,4-triazol-5-yl)propanimidate Openeye Name: 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-(1H-1,2,4-triazol-5-yl)propanimidate CAS Name: 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-(1H-1,2,4-triazol-5-yl)propanimidate IUPAC Name: 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-(1H-1,2,4-triazol-5-yl)propanimidate Traditional Name: 3-[(3S)-2-keto-3,4-dihydro-1H-quinolin-3-yl]-N-(1H-1,2,4-triazol-5-yl)propionimidate Formula: C14H14N5O2- MolecularWeight: 284.29326

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC2=CC=CC=C21)CCC(=NC3=NC=NN3)[O-]

Isomeric SMILES

C1[C@@H](C(=O)NC2=CC=CC=C21)CCC(=NC3=NC=NN3)[O-]

InChI

InChI=1S/C14H15N5O2/c20-12(18-14-15-8-16-19-14)6-5-10-7-9-3-1-2-4-11(9)17-13(10)21/h1-4,8,10H,5-7H2,(H,17,21)(H2,15,16,18,19,20)/p-1/t10-/m0/s1