[1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid [1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid [2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H29N3O5/c1-14-6-5-11-23(13-14)18-10-9-16(12-19(18)24(27)28)21(26)29-15(2)20(25)22-17-7-3-4-8-17/h9-10,12,14-15,17H,3-8,11,13H2,1-2H3,(H,22,25)