tert-butyl N-[5-chloranyl-4-[[4-(methylamino)phenyl]-phenyl-methyl]-2-nitro-phenyl]carbamate

Systemtic Name: tert-butyl N-[5-chloranyl-4-[[4-(methylamino)phenyl]-phenyl-methyl]-2-nitro-phenyl]carbamate Openeye Name: tert-butyl N-[5-chloro-4-[[4-(methylamino)phenyl]-phenyl-methyl]-2-nitro-phenyl]carbamate CAS Name: N-[5-chloro-4-[[4-(methylamino)phenyl]-phenylmethyl]-2-nitrophenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-chloro-4-[[4-(methylamino)phenyl]-phenylmethyl]-2-nitrophenyl]carbamate Traditional Name: N-[5-chloro-4-[[4-(methylamino)phenyl]-phenyl-methyl]-2-nitro-phenyl]carbamic acid tert-butyl ester Formula: C25H26ClN3O4 MolecularWeight: 467.94464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=C(C(=C1)Cl)C(C2=CC=CC=C2)C3=CC=C(C=C3)NC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=C(C(=C1)Cl)C(C2=CC=CC=C2)C3=CC=C(C=C3)NC)[N+](=O)[O-]

InChI

InChI=1S/C25H26ClN3O4/c1-25(2,3)33-24(30)28-21-15-20(26)19(14-22(21)29(31)32)23(16-8-6-5-7-9-16)17-10-12-18(27-4)13-11-17/h5-15,23,27H,1-4H3,(H,28,30)