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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])C#N)Cl

Isomeric SMILES

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

InChI

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