3-[4-(benzotriazol-1-ylcarbonyl)-3-(3-nitrophenyl)pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-(benzotriazol-1-ylcarbonyl)-3-(3-nitrophenyl)pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-(benzotriazole-1-carbonyl)-3-(3-nitrophenyl)pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[1-benzotriazolyl(oxo)methyl]-3-(3-nitrophenyl)-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-(benzotriazole-1-carbonyl)-3-(3-nitrophenyl)pyrazol-1-yl]propanenitrile Traditional Name: 3-[4-(benzotriazole-1-carbonyl)-3-(3-nitrophenyl)pyrazol-1-yl]propionitrile Formula: C19H13N7O3 MolecularWeight: 387.35162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C(=O)C3=CN(N=C3C4=CC(=CC=C4)[N+](=O)[O-])CCC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C(=O)C3=CN(N=C3C4=CC(=CC=C4)[N+](=O)[O-])CCC#N

InChI

InChI=1S/C19H13N7O3/c20-9-4-10-24-12-15(18(22-24)13-5-3-6-14(11-13)26(28)29)19(27)25-17-8-2-1-7-16(17)21-23-25/h1-3,5-8,11-12H,4,10H2