4-(6-nitro-4-phenethyl-3,5-dihydro-1,2,4-triazin-2-yl)benzoate

Systemtic Name: 4-(6-nitro-4-phenethyl-3,5-dihydro-1,2,4-triazin-2-yl)benzoate Openeye Name: 4-(6-nitro-4-phenethyl-3,5-dihydro-1,2,4-triazin-2-yl)benzoate CAS Name: 4-(6-nitro-4-phenethyl-3,5-dihydro-1,2,4-triazin-2-yl)benzoate IUPAC Name: 4-(6-nitro-4-phenethyl-3,5-dihydro-1,2,4-triazin-2-yl)benzoate Traditional Name: 4-(6-nitro-4-phenethyl-3,5-dihydro-1,2,4-triazin-2-yl)benzoate Formula: C18H17N4O4- MolecularWeight: 353.35198

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(CN1CCC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C(=NN(CN1CCC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4/c23-18(24)15-6-8-16(9-7-15)21-13-20(12-17(19-21)22(25)26)11-10-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,23,24)/p-1