[4-(ethylcarbamoyl)-2-nitro-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(ethylcarbamoyl)-2-nitro-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(ethylcarbamoyl)-2-nitro-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(ethylcarbamoyl)-2-nitrophenyl] ester IUPAC Name: [4-(ethylcarbamoyl)-2-nitrophenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(ethylcarbamoyl)-2-nitro-phenyl] ester Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O6S/c1-3-17-16(19)12-6-9-15(14(10-12)18(20)21)24-25(22,23)13-7-4-11(2)5-8-13/h4-10H,3H2,1-2H3,(H,17,19)