tert-butyl [2-[[[5-(dimethylamino)-2-nitro-phenyl]-pentanoyl-amino]methyl]-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [2-[[[5-(dimethylamino)-2-nitro-phenyl]-pentanoyl-amino]methyl]-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [2-[[5-(dimethylamino)-2-nitro-N-pentanoyl-anilino]methyl]-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [2-[[5-(dimethylamino)-2-nitro-N-(1-oxopentyl)anilino]methyl]-6-phenylphenyl] ester IUPAC Name: tert-butyl [2-[[5-(dimethylamino)-2-nitro-N-pentanoylanilino]methyl]-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [2-[[5-(dimethylamino)-2-nitro-N-valeryl-anilino]methyl]-6-phenyl-phenyl] ester Formula: C31H37N3O6 MolecularWeight: 547.64198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=CC(=C1OC(=O)OC(C)(C)C)C2=CC=CC=C2)C3=C(C=CC(=C3)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC(=O)N(CC1=CC=CC(=C1OC(=O)OC(C)(C)C)C2=CC=CC=C2)C3=C(C=CC(=C3)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C31H37N3O6/c1-7-8-17-28(35)33(27-20-24(32(5)6)18-19-26(27)34(37)38)21-23-15-12-16-25(22-13-10-9-11-14-22)29(23)39-30(36)40-31(2,3)4/h9-16,18-20H,7-8,17,21H2,1-6H3