4-[4-(methylaminomethyl)phenyl]-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one

Systemtic Name: 4-[4-(methylaminomethyl)phenyl]-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one Openeye Name: 4-[4-(methylaminomethyl)phenyl]-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one CAS Name: 4-[4-(methylaminomethyl)phenyl]-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one IUPAC Name: 4-[4-(methylaminomethyl)phenyl]-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one Traditional Name: 4-[4-(methylaminomethyl)phenyl]-2-(4-nitrobenzyl)-1,2,4-triazol-3-one Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC=C(C=C1)N2C=NN(C2=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CNCC1=CC=C(C=C1)N2C=NN(C2=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O3/c1-18-10-13-2-6-15(7-3-13)20-12-19-21(17(20)23)11-14-4-8-16(9-5-14)22(24)25/h2-9,12,18H,10-11H2,1H3