ethyl (2Z)-2-[3-azanyl-5-oxidanylidene-2-(phenylmethyl)-1,2,4-triazin-2-ium-6-ylidene]propanoate

Systemtic Name: ethyl (2Z)-2-[3-azanyl-5-oxidanylidene-2-(phenylmethyl)-1,2,4-triazin-2-ium-6-ylidene]propanoate Openeye Name: ethyl (2Z)-2-(3-amino-2-benzyl-5-oxo-1,2,4-triazin-2-ium-6-ylidene)propanoate CAS Name: (2Z)-2-[3-amino-5-oxo-2-(phenylmethyl)-1,2,4-triazin-2-ium-6-ylidene]propanoic acid ethyl ester IUPAC Name: ethyl (2Z)-2-(3-amino-2-benzyl-5-oxo-1,2,4-triazin-2-ium-6-ylidene)propanoate Traditional Name: (2Z)-2-(3-amino-2-benzyl-5-keto-1,2,4-triazin-2-ium-6-ylidene)propionic acid ethyl ester Formula: C15H17N4O3+ MolecularWeight: 301.32048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1C(=O)N=C([N+](=N1)CC2=CC=CC=C2)N)C

Isomeric SMILES

CCOC(=O)/C(=C\1/C(=O)N=C([N+](=N1)CC2=CC=CC=C2)N)/C

InChI

InChI=1S/C15H16N4O3/c1-3-22-14(21)10(2)12-13(20)17-15(16)19(18-12)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H-,16,17,20)/p+1/b12-10-