4-[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C20H20N3O5- MolecularWeight: 382.3899

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)C(=CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])C#N)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)/C(=C/C2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])/C#N)C

InChI

InChI=1S/C20H21N3O5/c1-5-6-22-12(2)7-16(13(22)3)19(24)15(11-21)8-14-9-17(23(26)27)20(25)18(10-14)28-4/h7-10,25H,5-6H2,1-4H3/p-1/b15-8+