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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethoxy-2-nitro-aniline Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethoxy-2-nitro-aniline CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethoxy-2-nitroaniline IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethoxy-2-nitroaniline Traditional Name: (4,5-dimethoxy-2-nitro-phenyl)-piperonyl-amine Formula: C16H16N2O6 MolecularWeight: 332.30804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])OC

InChI

InChI=1S/C16H16N2O6/c1-21-14-6-11(12(18(19)20)7-15(14)22-2)17-8-10-3-4-13-16(5-10)24-9-23-13/h3-7,17H,8-9H2,1-2H3