methyl 2-[(4-nitrophenyl)sulfonyl-prop-2-enyl-amino]propanoate

Systemtic Name: methyl 2-[(4-nitrophenyl)sulfonyl-prop-2-enyl-amino]propanoate Openeye Name: methyl 2-[allyl-(4-nitrophenyl)sulfonyl-amino]propanoate CAS Name: 2-[(4-nitrophenyl)sulfonyl-prop-2-enylamino]propanoic acid methyl ester IUPAC Name: methyl 2-[(4-nitrophenyl)sulfonyl-prop-2-enylamino]propanoate Traditional Name: 2-[allyl(nosyl)amino]propionic acid methyl ester Formula: C13H16N2O6S MolecularWeight: 328.34094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N(CC=C)S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)OC)N(CC=C)S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O6S/c1-4-9-14(10(2)13(16)21-3)22(19,20)12-7-5-11(6-8-12)15(17)18/h4-8,10H,1,9H2,2-3H3