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

Systemtic Name: 4-[(E)-2-cyano-3-(3-methoxypropylamino)-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-(3-methoxypropylamino)-3-oxo-prop-1-enyl]-2-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-(3-methoxypropylamino)-3-oxoprop-1-enyl]-2-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-(3-methoxypropylamino)-3-oxoprop-1-enyl]-2-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-keto-3-(3-methoxypropylamino)prop-1-enyl]-2-nitro-phenolate Formula: C14H14N3O5- MolecularWeight: 304.27806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O5/c1-22-6-2-5-16-14(19)11(9-15)7-10-3-4-13(18)12(8-10)17(20)21/h3-4,7-8,18H,2,5-6H2,1H3,(H,16,19)/p-1/b11-7+