ethyl (E)-4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloranyl-phenyl]amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloranyl-phenyl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloro-anilino]-4-oxo-but-2-enoate CAS Name: (E)-4-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-chloroanilino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloroanilino]-4-oxobut-2-enoate Traditional Name: (E)-4-[4-chloro-2-(piperonylcarbamoyl)anilino]-4-keto-but-2-enoic acid ethyl ester Formula: C21H19ClN2O6 MolecularWeight: 430.83836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC1=C(C=C(C=C1)Cl)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC1=C(C=C(C=C1)Cl)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H19ClN2O6/c1-2-28-20(26)8-7-19(25)24-16-5-4-14(22)10-15(16)21(27)23-11-13-3-6-17-18(9-13)30-12-29-17/h3-10H,2,11-12H2,1H3,(H,23,27)(H,24,25)/b8-7+