tert-butyl 2-[4-[[(5-chloranyl-2-nitro-phenyl)-pentanoyl-amino]methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[[(5-chloranyl-2-nitro-phenyl)-pentanoyl-amino]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[(5-chloro-2-nitro-N-pentanoyl-anilino)methyl]phenyl]benzoate CAS Name: 2-[4-[[5-chloro-2-nitro-N-(1-oxopentyl)anilino]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(5-chloro-2-nitro-N-pentanoylanilino)methyl]phenyl]benzoate Traditional Name: 2-[4-[(5-chloro-2-nitro-N-valeryl-anilino)methyl]phenyl]benzoic acid tert-butyl ester Formula: C29H31ClN2O5 MolecularWeight: 523.01984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC(C)(C)C)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC(C)(C)C)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C29H31ClN2O5/c1-5-6-11-27(33)31(26-18-22(30)16-17-25(26)32(35)36)19-20-12-14-21(15-13-20)23-9-7-8-10-24(23)28(34)37-29(2,3)4/h7-10,12-18H,5-6,11,19H2,1-4H3