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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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