2-[(E)-2-cyano-3-[(2,5-dimethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-4-nitro-phenolate

Systemtic Name: 2-[(E)-2-cyano-3-[(2,5-dimethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-4-nitro-phenolate Openeye Name: 2-[(E)-2-cyano-3-(2,5-dimethylanilino)-3-oxo-prop-1-enyl]-4-nitro-phenolate CAS Name: 2-[(E)-2-cyano-3-(2,5-dimethylanilino)-3-oxoprop-1-enyl]-4-nitrophenolate IUPAC Name: 2-[(E)-2-cyano-3-(2,5-dimethylanilino)-3-oxoprop-1-enyl]-4-nitrophenolate Traditional Name: 2-[(E)-2-cyano-3-(2,5-dimethylanilino)-3-keto-prop-1-enyl]-4-nitro-phenolate Formula: C18H14N3O4- MolecularWeight: 336.32146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)/C(=C/C2=C(C=CC(=C2)[N+](=O)[O-])[O-])/C#N

InChI

InChI=1S/C18H15N3O4/c1-11-3-4-12(2)16(7-11)20-18(23)14(10-19)8-13-9-15(21(24)25)5-6-17(13)22/h3-9,22H,1-2H3,(H,20,23)/p-1/b14-8+