methyl 2-[(4R)-6-azanyl-4-(3-bromophenyl)-5-cyano-3-nitro-4H-pyran-2-yl]benzoate

Systemtic Name: methyl 2-[(4R)-6-azanyl-4-(3-bromophenyl)-5-cyano-3-nitro-4H-pyran-2-yl]benzoate Openeye Name: methyl 2-[(4R)-6-amino-4-(3-bromophenyl)-5-cyano-3-nitro-4H-pyran-2-yl]benzoate CAS Name: 2-[(4R)-6-amino-4-(3-bromophenyl)-5-cyano-3-nitro-4H-pyran-2-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[(4R)-6-amino-4-(3-bromophenyl)-5-cyano-3-nitro-4H-pyran-2-yl]benzoate Traditional Name: 2-[(4R)-6-amino-4-(3-bromophenyl)-5-cyano-3-nitro-4H-pyran-2-yl]benzoic acid methyl ester Formula: C20H14BrN3O5 MolecularWeight: 456.24626

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=C(C(C(=C(O2)N)C#N)C3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=C([C@@H](C(=C(O2)N)C#N)C3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H14BrN3O5/c1-28-20(25)14-8-3-2-7-13(14)18-17(24(26)27)16(15(10-22)19(23)29-18)11-5-4-6-12(21)9-11/h2-9,16H,23H2,1H3/t16-/m1/s1