[4-[(E)-2-nitroethenyl]phenyl] 4-(propan-2-ylcarbamoyl)benzenesulfonate

Systemtic Name: [4-[(E)-2-nitroethenyl]phenyl] 4-(propan-2-ylcarbamoyl)benzenesulfonate Openeye Name: [4-[(E)-2-nitrovinyl]phenyl] 4-(isopropylcarbamoyl)benzenesulfonate CAS Name: 4-[oxo-(propan-2-ylamino)methyl]benzenesulfonic acid [4-[(E)-2-nitroethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-nitroethenyl]phenyl] 4-(propan-2-ylcarbamoyl)benzenesulfonate Traditional Name: 4-(isopropylcarbamoyl)benzenesulfonic acid [4-[(E)-2-nitrovinyl]phenyl] ester Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C/[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6S/c1-13(2)19-18(21)15-5-9-17(10-6-15)27(24,25)26-16-7-3-14(4-8-16)11-12-20(22)23/h3-13H,1-2H3,(H,19,21)/b12-11+