ethyl 3-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]anilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-nitro-5-[[2-(piperonylcarbamoyl)phenyl]carbamoyl]benzoic acid ethyl ester Formula: C25H21N3O8 MolecularWeight: 491.44954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C25H21N3O8/c1-2-34-25(31)17-10-16(11-18(12-17)28(32)33)23(29)27-20-6-4-3-5-19(20)24(30)26-13-15-7-8-21-22(9-15)36-14-35-21/h3-12H,2,13-14H2,1H3,(H,26,30)(H,27,29)