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

Systemtic Name: 4-[(E)-2-cyano-3-(3-methoxyphenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-(3-methoxyphenyl)-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-keto-3-(3-methoxyphenyl)prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C18H13N2O6- MolecularWeight: 353.30562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C(=CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)/C(=C/C2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])/C#N

InChI

InChI=1S/C18H14N2O6/c1-25-14-5-3-4-12(9-14)17(21)13(10-19)6-11-7-15(20(23)24)18(22)16(8-11)26-2/h3-9,22H,1-2H3/p-1/b13-6+