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

Systemtic Name: methyl 2-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-nitro-phenyl]amino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-nitro-anilino]-3-hydroxy-propanoate CAS Name: 2-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-nitroanilino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-nitroanilino]-3-hydroxypropanoate Traditional Name: 3-hydroxy-2-[4-nitro-2-(piperonylcarbamoyl)anilino]propionic acid methyl ester Formula: C19H19N3O8 MolecularWeight: 417.36946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O8/c1-28-19(25)15(9-23)21-14-4-3-12(22(26)27)7-13(14)18(24)20-8-11-2-5-16-17(6-11)30-10-29-16/h2-7,15,21,23H,8-10H2,1H3,(H,20,24)