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

Systemtic Name: 4-[(E)-2-cyano-3-(dimethylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-(dimethylamino)-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-(dimethylamino)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-(dimethylamino)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-(dimethylamino)-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C13H12N3O5- MolecularWeight: 290.25148

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(=CC1=CC(=C(C(=C1)OC)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O5/c1-15(2)13(18)9(7-14)4-8-5-10(16(19)20)12(17)11(6-8)21-3/h4-6,17H,1-3H3/p-1/b9-4+