[2-methoxy-4-[(E)-2-nitroprop-1-enyl]phenyl] 4-(methylcarbamoyl)benzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-2-nitroprop-1-enyl]phenyl] 4-(methylcarbamoyl)benzenesulfonate Openeye Name: [2-methoxy-4-[(E)-2-nitroprop-1-enyl]phenyl] 4-(methylcarbamoyl)benzenesulfonate CAS Name: 4-(methylcarbamoyl)benzenesulfonic acid [2-methoxy-4-[(E)-2-nitroprop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-2-nitroprop-1-enyl]phenyl] 4-(methylcarbamoyl)benzenesulfonate Traditional Name: 4-(methylcarbamoyl)benzenesulfonic acid [2-methoxy-4-[(E)-2-nitroprop-1-enyl]phenyl] ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C(=O)NC)OC)[N+](=O)[O-]

Isomeric SMILES

C/C(=C\C1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C(=O)NC)OC)/[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O7S/c1-12(20(22)23)10-13-4-9-16(17(11-13)26-3)27-28(24,25)15-7-5-14(6-8-15)18(21)19-2/h4-11H,1-3H3,(H,19,21)/b12-10+