2,6-bis(bromanyl)-4-[(E)-2-cyano-3-[(4-methoxy-2-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]phenolate

Systemtic Name: 2,6-bis(bromanyl)-4-[(E)-2-cyano-3-[(4-methoxy-2-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]phenolate Openeye Name: 2,6-dibromo-4-[(E)-2-cyano-3-(4-methoxy-2-nitro-anilino)-3-oxo-prop-1-enyl]phenolate CAS Name: 2,6-dibromo-4-[(E)-2-cyano-3-(4-methoxy-2-nitroanilino)-3-oxoprop-1-enyl]phenolate IUPAC Name: 2,6-dibromo-4-[(E)-2-cyano-3-(4-methoxy-2-nitroanilino)-3-oxoprop-1-enyl]phenolate Traditional Name: 2,6-dibromo-4-[(E)-2-cyano-3-keto-3-(4-methoxy-2-nitro-anilino)prop-1-enyl]phenolate Formula: C17H10Br2N3O5- MolecularWeight: 496.0864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11Br2N3O5/c1-27-11-2-3-14(15(7-11)22(25)26)21-17(24)10(8-20)4-9-5-12(18)16(23)13(19)6-9/h2-7,23H,1H3,(H,21,24)/p-1/b10-4+