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

Systemtic Name: methyl 2-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-nitro-phenyl]amino]propanoate Openeye Name: methyl 2-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-nitro-anilino]propanoate CAS Name: 2-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-nitroanilino]propanoic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-nitroanilino]propanoate Traditional Name: 2-[4-nitro-2-(piperonylcarbamoyl)anilino]propionic acid methyl ester Formula: C19H19N3O7 MolecularWeight: 401.37006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C(=O)OC)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H19N3O7/c1-11(19(24)27-2)21-15-5-4-13(22(25)26)8-14(15)18(23)20-9-12-3-6-16-17(7-12)29-10-28-16/h3-8,11,21H,9-10H2,1-2H3,(H,20,23)