[4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 2-nitrobenzenesulfonate

Systemtic Name: [4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 2-nitrobenzenesulfonate Openeye Name: [4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]phenyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]phenyl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C16H11N3O6S MolecularWeight: 373.34004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O6S/c17-10-12(16(18)20)9-11-5-7-13(8-6-11)25-26(23,24)15-4-2-1-3-14(15)19(21)22/h1-9H,(H2,18,20)/b12-9+