4-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]aniline

Systemtic Name: 4-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]aniline Openeye Name: 4-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]aniline CAS Name: 4-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]aniline IUPAC Name: 4-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]aniline Traditional Name: [4-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]phenyl]amine Formula: C14H11N5O2 MolecularWeight: 281.26944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NNC(=N2)C3=CC=C(C=C3)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NNC(=N2)C3=CC=C(C=C3)N

InChI

InChI=1S/C14H11N5O2/c15-11-6-4-9(5-7-11)13-16-14(18-17-13)10-2-1-3-12(8-10)19(20)21/h1-8H,15H2,(H,16,17,18)