[2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate

Systemtic Name: [2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: [2-(diisobutylamino)-2-oxo-ethyl] 4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzoic acid [2-[bis(2-methylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3S)-3-methylpiperidino]-3-nitro-benzoic acid [2-(diisobutylamino)-2-keto-ethyl] ester Formula: C23H35N3O5 MolecularWeight: 433.5411

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N(CC(C)C)CC(C)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N(CC(C)C)CC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H35N3O5/c1-16(2)12-25(13-17(3)4)22(27)15-31-23(28)19-8-9-20(21(11-19)26(29)30)24-10-6-7-18(5)14-24/h8-9,11,16-18H,6-7,10,12-15H2,1-5H3/t18-/m0/s1