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

Systemtic Name: 4-[(E)-2-cyano-3-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate Openeye Name: 4-[(E)-3-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-3-oxo-prop-1-enyl]-2-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-3-oxoprop-1-enyl]-2-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-3-oxoprop-1-enyl]-2-nitrophenolate Traditional Name: 4-[(E)-3-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-3-keto-prop-1-enyl]-2-nitro-phenolate Formula: C19H16N3O4- MolecularWeight: 350.34804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)C(=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)/C(=C/C2=CC(=C(C=C2)[O-])[N+](=O)[O-])/C#N

InChI

InChI=1S/C19H17N3O4/c1-4-7-21-12(2)8-16(13(21)3)19(24)15(11-20)9-14-5-6-18(23)17(10-14)22(25)26/h4-6,8-10,23H,1,7H2,2-3H3/p-1/b15-9+