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

Systemtic Name: 4-(6-nitro-4-phenethyl-3,5-dihydro-1,2,4-triazin-2-yl)benzoic acid Openeye Name: 4-(6-nitro-4-phenethyl-3,5-dihydro-1,2,4-triazin-2-yl)benzoic acid CAS Name: 4-(6-nitro-4-phenethyl-3,5-dihydro-1,2,4-triazin-2-yl)benzoic acid IUPAC Name: 4-(6-nitro-4-phenethyl-3,5-dihydro-1,2,4-triazin-2-yl)benzoic acid Traditional Name: 4-(6-nitro-4-phenethyl-3,5-dihydro-1,2,4-triazin-2-yl)benzoic acid Formula: C18H18N4O4 MolecularWeight: 354.35992

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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)