[2-methoxy-4-[(E)-[(4-nitrophenyl)carbonylhydrazinylidene]methyl]phenyl] 2-prop-2-enylsulfanylethanoate

Systemtic Name: [2-methoxy-4-[(E)-[(4-nitrophenyl)carbonylhydrazinylidene]methyl]phenyl] 2-prop-2-enylsulfanylethanoate Openeye Name: [2-methoxy-4-[(E)-[(4-nitrobenzoyl)hydrazono]methyl]phenyl] 2-allylsulfanylacetate CAS Name: 2-(prop-2-enylthio)acetic acid [2-methoxy-4-[(E)-[[(4-nitrophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 2-prop-2-enylsulfanylacetate Traditional Name: 2-(allylthio)acetic acid [2-methoxy-4-[(E)-[(4-nitrobenzoyl)hydrazono]methyl]phenyl] ester Formula: C20H19N3O6S MolecularWeight: 429.44636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)CSCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)CSCC=C

InChI

InChI=1S/C20H19N3O6S/c1-3-10-30-13-19(24)29-17-9-4-14(11-18(17)28-2)12-21-22-20(25)15-5-7-16(8-6-15)23(26)27/h3-9,11-12H,1,10,13H2,2H3,(H,22,25)/b21-12+