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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O5/c1-21-5-4-15-13(18)10(8-14)6-9-2-3-12(17)11(7-9)16(19)20/h2-3,6-7,17H,4-5H2,1H3,(H,15,18)/p-1/b10-6+