3-nitro-4-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]benzenecarbonitrile

Systemtic Name: 3-nitro-4-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]benzenecarbonitrile Openeye Name: 3-nitro-4-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]benzonitrile CAS Name: 3-nitro-4-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]benzonitrile IUPAC Name: 3-nitro-4-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]benzonitrile Traditional Name: 3-nitro-4-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]benzonitrile Formula: C17H14N6O2 MolecularWeight: 334.33206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=NC=N2)NC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=NC=N2)NC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H14N6O2/c1-12(14-3-5-15(6-4-14)22-11-19-10-20-22)21-16-7-2-13(9-18)8-17(16)23(24)25/h2-8,10-12,21H,1H3