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

Systemtic Name: methyl 2-[6-azanyl-5-cyano-4-(2,4-dichlorophenyl)-3-nitro-4H-pyran-2-yl]benzoate Openeye Name: methyl 2-[6-amino-5-cyano-4-(2,4-dichlorophenyl)-3-nitro-4H-pyran-2-yl]benzoate CAS Name: 2-[6-amino-5-cyano-4-(2,4-dichlorophenyl)-3-nitro-4H-pyran-2-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[6-amino-5-cyano-4-(2,4-dichlorophenyl)-3-nitro-4H-pyran-2-yl]benzoate Traditional Name: 2-[6-amino-5-cyano-4-(2,4-dichlorophenyl)-3-nitro-4H-pyran-2-yl]benzoic acid methyl ester Formula: C20H13Cl2N3O5 MolecularWeight: 446.24032

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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=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H13Cl2N3O5/c1-29-20(26)12-5-3-2-4-11(12)18-17(25(27)28)16(14(9-23)19(24)30-18)13-7-6-10(21)8-15(13)22/h2-8,16H,24H2,1H3