methyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-5-nitro-benzoate

Systemtic Name: methyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[4-[2-(2-methyl-1-piperidyl)-2-oxo-ethyl]piperazin-1-yl]-5-nitro-benzoate CAS Name: 2-[4-[2-(2-methyl-1-piperidinyl)-2-oxoethyl]-1-piperazinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-5-nitrobenzoate Traditional Name: 2-[4-[2-keto-2-(2-methylpiperidino)ethyl]piperazino]-5-nitro-benzoic acid methyl ester Formula: C20H28N4O5 MolecularWeight: 404.46012

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CN2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1CCCCN1C(=O)CN2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

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