N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitrobenzamide Traditional Name: N-homoveratryl-3-nitro-N-piperonyl-benzamide Formula: C25H24N2O7 MolecularWeight: 464.46726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C25H24N2O7/c1-31-21-8-6-17(12-23(21)32-2)10-11-26(15-18-7-9-22-24(13-18)34-16-33-22)25(28)19-4-3-5-20(14-19)27(29)30/h3-9,12-14H,10-11,15-16H2,1-2H3