(4-nitrophenyl)-[5-[(phenylmethyl)amino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone

Systemtic Name: (4-nitrophenyl)-[5-[(phenylmethyl)amino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone Openeye Name: [5-(benzylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone CAS Name: (4-nitrophenyl)-[5-[(phenylmethyl)amino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]methanone IUPAC Name: [5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone Traditional Name: [5-(benzylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone Formula: C21H16N6O3 MolecularWeight: 400.39014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CN=CC=C4

InChI

InChI=1S/C21H16N6O3/c28-20(16-8-10-18(11-9-16)27(29)30)26-21(23-13-15-5-2-1-3-6-15)24-19(25-26)17-7-4-12-22-14-17/h1-12,14H,13H2,(H,23,24,25)