O4-tert-butyl O1-[(4-nitrophenyl)methyl] 2-[(phenylmethyl)amino]butanedioate

Systemtic Name: O4-tert-butyl O1-[(4-nitrophenyl)methyl] 2-[(phenylmethyl)amino]butanedioate Openeye Name: O4-tert-butyl O1-[(4-nitrophenyl)methyl] 2-(benzylamino)butanedioate CAS Name: 2-[(phenylmethyl)amino]butanedioic acid O4-tert-butyl ester O1-[(4-nitrophenyl)methyl] ester IUPAC Name: 4-O-tert-butyl 1-O-[(4-nitrophenyl)methyl] 2-(benzylamino)butanedioate Traditional Name: 2-(benzylamino)succinic acid O4-tert-butyl ester O1-(4-nitrobenzyl) ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CC(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O6/c1-22(2,3)30-20(25)13-19(23-14-16-7-5-4-6-8-16)21(26)29-15-17-9-11-18(12-10-17)24(27)28/h4-12,19,23H,13-15H2,1-3H3