methyl 2-[4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: methyl 2-[4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-nitro-phenyl]carbonylbenzoate Openeye Name: methyl 2-[4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-nitrophenyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-[methyl(piperonyl)amino]-3-nitro-benzoyl]benzoic acid methyl ester Formula: C24H20N2O7 MolecularWeight: 448.4248

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCO2)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCO2)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C24H20N2O7/c1-25(13-15-7-10-21-22(11-15)33-14-32-21)19-9-8-16(12-20(19)26(29)30)23(27)17-5-3-4-6-18(17)24(28)31-2/h3-12H,13-14H2,1-2H3