3-ethoxy-2-(4-nitrophenyl)-5-oxidanylidene-4-(phenylmethyl)-3H-1,2,4-triazine-6-carbonitrile

Systemtic Name: 3-ethoxy-2-(4-nitrophenyl)-5-oxidanylidene-4-(phenylmethyl)-3H-1,2,4-triazine-6-carbonitrile Openeye Name: 4-benzyl-3-ethoxy-2-(4-nitrophenyl)-5-oxo-3H-1,2,4-triazine-6-carbonitrile CAS Name: 3-ethoxy-2-(4-nitrophenyl)-5-oxo-4-(phenylmethyl)-3H-1,2,4-triazine-6-carbonitrile IUPAC Name: 4-benzyl-3-ethoxy-2-(4-nitrophenyl)-5-oxo-3H-1,2,4-triazine-6-carbonitrile Traditional Name: 4-benzyl-3-ethoxy-5-keto-2-(4-nitrophenyl)-3H-1,2,4-triazine-6-carbonitrile Formula: C19H17N5O4 MolecularWeight: 379.36938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1N(C(=O)C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C#N)CC3=CC=CC=C3

Isomeric SMILES

CCOC1N(C(=O)C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C#N)CC3=CC=CC=C3

InChI

InChI=1S/C19H17N5O4/c1-2-28-19-22(13-14-6-4-3-5-7-14)18(25)17(12-20)21-23(19)15-8-10-16(11-9-15)24(26)27/h3-11,19H,2,13H2,1H3