4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-(cyclohexylamino)-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C17H18N3O5- MolecularWeight: 344.34192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C(C#N)C(=O)NC2CCCCC2

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C(\C#N)/C(=O)NC2CCCCC2

InChI

InChI=1S/C17H19N3O5/c1-25-15-9-11(8-14(16(15)21)20(23)24)7-12(10-18)17(22)19-13-5-3-2-4-6-13/h7-9,13,21H,2-6H2,1H3,(H,19,22)/p-1/b12-7+