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

Systemtic Name: 2-[2-cyano-3-[(3,4-dimethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-4-nitro-phenolate Openeye Name: 2-[2-cyano-3-(3,4-dimethylanilino)-3-oxo-prop-1-enyl]-4-nitro-phenolate CAS Name: 2-[2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]-4-nitrophenolate IUPAC Name: 2-[2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]-4-nitrophenolate Traditional Name: 2-[2-cyano-3-(3,4-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=C(C=C(C=C1)NC(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C#N)C

Isomeric SMILES

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

InChI

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