[4-(prop-2-ynylcarbamoyl)phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(prop-2-ynylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(prop-2-ynylcarbamoyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-(prop-2-ynylamino)methyl]phenyl] ester IUPAC Name: [4-(prop-2-ynylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(propargylcarbamoyl)phenyl] ester Formula: C16H12N2O6S MolecularWeight: 360.34128

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

C#CCNC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O6S/c1-2-10-17-16(19)12-6-8-14(9-7-12)24-25(22,23)15-5-3-4-13(11-15)18(20)21/h1,3-9,11H,10H2,(H,17,19)