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

Systemtic Name: (4-azanyl-3-nitro-phenyl)-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone Openeye Name: (4-amino-3-nitro-phenyl)-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone CAS Name: (4-amino-3-nitrophenyl)-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-amino-3-nitrophenyl)-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone Traditional Name: (4-amino-3-nitro-phenyl)-(4-piperonylpiperazino)methanone Formula: C19H20N4O5 MolecularWeight: 384.3859

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O5/c20-15-3-2-14(10-16(15)23(25)26)19(24)22-7-5-21(6-8-22)11-13-1-4-17-18(9-13)28-12-27-17/h1-4,9-10H,5-8,11-12,20H2