tert-butyl (3S)-3-[4-[(3-methoxycarbonyl-2-nitro-phenyl)methylideneamino]phenyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-[4-[(3-methoxycarbonyl-2-nitro-phenyl)methylideneamino]phenyl]piperidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-[4-[(3-methoxycarbonyl-2-nitro-phenyl)methyleneamino]phenyl]piperidine-1-carboxylate CAS Name: (3S)-3-[4-[(3-methoxycarbonyl-2-nitrophenyl)methylideneamino]phenyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[4-[(3-methoxycarbonyl-2-nitrophenyl)methylideneamino]phenyl]piperidine-1-carboxylate Traditional Name: (3S)-3-[4-[(3-carbomethoxy-2-nitro-benzylidene)amino]phenyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H29N3O6 MolecularWeight: 467.51426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C2=CC=C(C=C2)N=CC3=C(C(=CC=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H](C1)C2=CC=C(C=C2)N=CC3=C(C(=CC=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C25H29N3O6/c1-25(2,3)34-24(30)27-14-6-8-19(16-27)17-10-12-20(13-11-17)26-15-18-7-5-9-21(23(29)33-4)22(18)28(31)32/h5,7,9-13,15,19H,6,8,14,16H2,1-4H3/t19-/m1/s1