N-(1,3-benzodioxol-5-ylmethyl)-4,5-diethoxy-2-nitro-aniline

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4,5-diethoxy-2-nitro-aniline Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4,5-diethoxy-2-nitro-aniline CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4,5-diethoxy-2-nitroaniline IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4,5-diethoxy-2-nitroaniline Traditional Name: (4,5-diethoxy-2-nitro-phenyl)-piperonyl-amine Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])OCC

InChI

InChI=1S/C18H20N2O6/c1-3-23-17-8-13(14(20(21)22)9-18(17)24-4-2)19-10-12-5-6-15-16(7-12)26-11-25-15/h5-9,19H,3-4,10-11H2,1-2H3