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

Systemtic Name: [4-(3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl)-2-ethoxy-phenyl] 2-nitrobenzenesulfonate Openeye Name: [4-(3-amino-2-cyano-3-oxo-prop-1-enyl)-2-ethoxy-phenyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [4-(3-amino-2-cyano-3-oxoprop-1-enyl)-2-ethoxyphenyl] ester IUPAC Name: [4-(3-amino-2-cyano-3-oxoprop-1-enyl)-2-ethoxyphenyl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [4-(3-amino-2-cyano-3-keto-prop-1-enyl)-2-ethoxy-phenyl] ester Formula: C18H15N3O7S MolecularWeight: 417.3926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)N)OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)N)OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O7S/c1-2-27-16-10-12(9-13(11-19)18(20)22)7-8-15(16)28-29(25,26)17-6-4-3-5-14(17)21(23)24/h3-10H,2H2,1H3,(H2,20,22)