[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-nitro-1H-pyrazol-5-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-nitro-1H-pyrazol-5-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-nitro-1H-pyrazol-5-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(3-nitro-1H-pyrazol-5-yl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-nitro-1H-pyrazol-5-yl)methanone Traditional Name: (3-nitro-1H-pyrazol-5-yl)-(4-piperonylpiperazino)methanone Formula: C16H17N5O5 MolecularWeight: 359.33668

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NN4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NN4)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O5/c22-16(12-8-15(18-17-12)21(23)24)20-5-3-19(4-6-20)9-11-1-2-13-14(7-11)26-10-25-13/h1-2,7-8H,3-6,9-10H2,(H,17,18)