ethyl 3-nitro-5-[(2-prop-2-enylsulfanylphenyl)carbamoyl]benzoate

Systemtic Name: ethyl 3-nitro-5-[(2-prop-2-enylsulfanylphenyl)carbamoyl]benzoate Openeye Name: ethyl 3-[(2-allylsulfanylphenyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[2-(prop-2-enylthio)anilino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[(2-prop-2-enylsulfanylphenyl)carbamoyl]benzoate Traditional Name: 3-[[2-(allylthio)phenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC=C2SCC=C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC=C2SCC=C)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O5S/c1-3-9-27-17-8-6-5-7-16(17)20-18(22)13-10-14(19(23)26-4-2)12-15(11-13)21(24)25/h3,5-8,10-12H,1,4,9H2,2H3,(H,20,22)