phenethyl 2-methylidene-4-(2-nitrophenyl)-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: phenethyl 2-methylidene-4-(2-nitrophenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: phenethyl 2-methylene-4-(2-nitrophenyl)-6-oxo-piperidine-3-carboxylate CAS Name: 2-methylene-4-(2-nitrophenyl)-6-oxo-3-piperidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 2-methylidene-4-(2-nitrophenyl)-6-oxopiperidine-3-carboxylate Traditional Name: 6-keto-2-methylene-4-(2-nitrophenyl)nipecotic acid phenethyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(CC(=O)N1)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

C=C1C(C(CC(=O)N1)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5/c1-14-20(21(25)28-12-11-15-7-3-2-4-8-15)17(13-19(24)22-14)16-9-5-6-10-18(16)23(26)27/h2-10,17,20H,1,11-13H2,(H,22,24)