ethyl 2-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-nitro-ethanoate

Systemtic Name: ethyl 2-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-nitro-ethanoate Openeye Name: ethyl 2-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-nitro-acetate CAS Name: 2-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-nitroacetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-nitroacetate Traditional Name: 2-cyano-2-(4,6-diphenyl-s-triazin-2-yl)-2-nitro-acetic acid ethyl ester Formula: C20H15N5O4 MolecularWeight: 389.3642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)(C1=NC(=NC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C#N)(C1=NC(=NC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H15N5O4/c1-2-29-19(26)20(13-21,25(27)28)18-23-16(14-9-5-3-6-10-14)22-17(24-18)15-11-7-4-8-12-15/h3-12H,2H2,1H3