N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2,4-dinitro-aniline

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2,4-dinitro-aniline Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2,4-dinitro-aniline CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2,4-dinitroaniline IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-ethyl-piperonyl-amine Formula: C16H15N3O6 MolecularWeight: 345.3068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O6/c1-2-17(9-11-3-6-15-16(7-11)25-10-24-15)13-5-4-12(18(20)21)8-14(13)19(22)23/h3-8H,2,9-10H2,1H3