methyl 2-azanyl-4,6-bis(4-chlorophenyl)-3-cyano-5-nitro-cyclohexene-1-carboxylate

Systemtic Name: methyl 2-azanyl-4,6-bis(4-chlorophenyl)-3-cyano-5-nitro-cyclohexene-1-carboxylate Openeye Name: methyl 2-amino-4,6-bis(4-chlorophenyl)-3-cyano-5-nitro-cyclohexene-1-carboxylate CAS Name: 2-amino-4,6-bis(4-chlorophenyl)-3-cyano-5-nitro-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl 2-amino-4,6-bis(4-chlorophenyl)-3-cyano-5-nitrocyclohexene-1-carboxylate Traditional Name: 2-amino-4,6-bis(4-chlorophenyl)-3-cyano-5-nitro-cyclohexene-1-carboxylic acid methyl ester Formula: C21H17Cl2N3O4 MolecularWeight: 446.28338

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(C(C(C1C2=CC=C(C=C2)Cl)[N+](=O)[O-])C3=CC=C(C=C3)Cl)C#N)N

Isomeric SMILES

COC(=O)C1=C(C(C(C(C1C2=CC=C(C=C2)Cl)[N+](=O)[O-])C3=CC=C(C=C3)Cl)C#N)N

InChI

InChI=1S/C21H17Cl2N3O4/c1-30-21(27)18-17(12-4-8-14(23)9-5-12)20(26(28)29)16(15(10-24)19(18)25)11-2-6-13(22)7-3-11/h2-9,15-17,20H,25H2,1H3