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

Systemtic Name: 4-[(E)-2-cyano-3-(3-ethoxypropylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-(3-ethoxypropylamino)-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-(3-ethoxypropylamino)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-(3-ethoxypropylamino)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-(3-ethoxypropylamino)-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C16H18N3O6- MolecularWeight: 348.33062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O6/c1-3-25-6-4-5-18-16(21)12(10-17)7-11-8-13(19(22)23)15(20)14(9-11)24-2/h7-9,20H,3-6H2,1-2H3,(H,18,21)/p-1/b12-7+