4-[(E)-2-cyano-3-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-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-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-3-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-3-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C20H18N3O5- MolecularWeight: 380.37402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5/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/h5,7-10,25H,1,6H2,2-4H3/p-1/b15-8+