ethyl 4-[4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-(3-methyl-1-piperidyl)-3-nitro-benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-(3-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-methylpiperidin-1-yl)-3-nitrobenzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(3-methylpiperidino)-3-nitro-benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H28N4O5 MolecularWeight: 404.46012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCCC(C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCCC(C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H28N4O5/c1-3-29-20(26)22-11-9-21(10-12-22)19(25)16-6-7-17(18(13-16)24(27)28)23-8-4-5-15(2)14-23/h6-7,13,15H,3-5,8-12,14H2,1-2H3