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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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