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

Systemtic Name: 4-[(E)-2-cyano-3-(methylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-(methylamino)-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-keto-3-(methylamino)prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C12H10N3O5- MolecularWeight: 276.2249

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O5/c1-14-12(17)8(6-13)3-7-4-9(15(18)19)11(16)10(5-7)20-2/h3-5,16H,1-2H3,(H,14,17)/p-1/b8-3+