1-(1,3-benzodioxol-5-ylmethyl)-4-(2-chloranyl-4-nitro-phenyl)piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-chloranyl-4-nitro-phenyl)piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-chloro-4-nitro-phenyl)piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-chloro-4-nitrophenyl)piperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-chloro-4-nitrophenyl)piperazine Traditional Name: 1-(2-chloro-4-nitro-phenyl)-4-piperonyl-piperazine Formula: C18H18ClN3O4 MolecularWeight: 375.80622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O4/c19-15-10-14(22(23)24)2-3-16(15)21-7-5-20(6-8-21)11-13-1-4-17-18(9-13)26-12-25-17/h1-4,9-10H,5-8,11-12H2