4-[(E)-3-[(3-chlorophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-3-[(3-chlorophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-3-(3-chloroanilino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-3-(3-chloroanilino)-2-cyano-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-3-(3-chloroanilino)-2-cyano-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-3-(3-chloroanilino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C17H11ClN3O5- MolecularWeight: 372.73934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C(C#N)C(=O)NC2=CC(=CC=C2)Cl

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C(\C#N)/C(=O)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H12ClN3O5/c1-26-15-7-10(6-14(16(15)22)21(24)25)5-11(9-19)17(23)20-13-4-2-3-12(18)8-13/h2-8,22H,1H3,(H,20,23)/p-1/b11-5+