(phenylmethyl) 4-(4-chloranyl-3-nitro-phenyl)-2-methylidene-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: (phenylmethyl) 4-(4-chloranyl-3-nitro-phenyl)-2-methylidene-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: benzyl 4-(4-chloro-3-nitro-phenyl)-2-methylene-6-oxo-piperidine-3-carboxylate CAS Name: 4-(4-chloro-3-nitrophenyl)-2-methylene-6-oxo-3-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-chloro-3-nitrophenyl)-2-methylidene-6-oxopiperidine-3-carboxylate Traditional Name: 4-(4-chloro-3-nitro-phenyl)-6-keto-2-methylene-nipecotic acid benzyl ester Formula: C20H17ClN2O5 MolecularWeight: 400.81238

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(CC(=O)N1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C=C1C(C(CC(=O)N1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H17ClN2O5/c1-12-19(20(25)28-11-13-5-3-2-4-6-13)15(10-18(24)22-12)14-7-8-16(21)17(9-14)23(26)27/h2-9,15,19H,1,10-11H2,(H,22,24)