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1-[4-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-3-nitro-phenyl]ethanone

1-[4-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-3-nitro-phenyl]ethanone

Systemtic Name:1-[4-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-3-nitro-phenyl]ethanone
Openeye Name:1-[4-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-3-nitro-phenyl]ethanone
CAS Name:1-[4-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-3-nitrophenyl]ethanone
IUPAC Name:1-[4-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-3-nitrophenyl]ethanone
Traditional Name:1-[4-[ethyl(piperonyl)amino]-3-nitro-phenyl]ethanone
Formula: C18H18N2O5
MolecularWeight: 342.34592
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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C3=C(C=C(C=C3)C(=O)C)[N+](=O)[O-]


Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C3=C(C=C(C=C3)C(=O)C)[N+](=O)[O-]


InChI

InChI=1S/C18H18N2O5/c1-3-19(10-13-4-7-17-18(8-13)25-11-24-17)15-6-5-14(12(2)21)9-16(15)20(22)23/h4-9H,3,10-11H2,1-2H3


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