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

Systemtic Name: 4-[(E)-3-(butylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-3-(butylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-3-(butylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C15H16N3O5- MolecularWeight: 318.30464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O5/c1-3-4-5-17-15(20)11(9-16)6-10-7-12(18(21)22)14(19)13(8-10)23-2/h6-8,19H,3-5H2,1-2H3,(H,17,20)/p-1/b11-6+