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

Systemtic Name: 4-[(Z)-3-[(4-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(Z)-3-(4-bromoanilino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(Z)-3-(4-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(Z)-3-(4-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(Z)-3-(4-bromoanilino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C17H11BrN3O5- MolecularWeight: 417.19034

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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=C(C=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrN3O5/c1-26-15-8-10(7-14(16(15)22)21(24)25)6-11(9-19)17(23)20-13-4-2-12(18)3-5-13/h2-8,22H,1H3,(H,20,23)/p-1/b11-6-