[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-chloranyl-3,5-dinitro-phenyl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-chloranyl-3,5-dinitro-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-chloro-3,5-dinitro-phenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(2-chloro-3,5-dinitrophenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-chloro-3,5-dinitrophenyl)methanone Traditional Name: (2-chloro-3,5-dinitro-phenyl)-(4-piperonylpiperazino)methanone Formula: C19H17ClN4O7 MolecularWeight: 448.81388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC(=C4Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC(=C4Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H17ClN4O7/c20-18-14(8-13(23(26)27)9-15(18)24(28)29)19(25)22-5-3-21(4-6-22)10-12-1-2-16-17(7-12)31-11-30-16/h1-2,7-9H,3-6,10-11H2