[[4-(2-cyanophenyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 2-methyl-3-nitro-benzoate

Systemtic Name: [[4-(2-cyanophenyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 2-methyl-3-nitro-benzoate Openeye Name: [tert-butoxycarbonyl-[[4-(2-cyanophenyl)phenyl]methyl]amino] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [[4-(2-cyanophenyl)phenyl]methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino] ester IUPAC Name: [[4-(2-cyanophenyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [tert-butoxycarbonyl-[4-(2-cyanophenyl)benzyl]amino] ester Formula: C27H25N3O6 MolecularWeight: 487.5039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)ON(CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)ON(CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H25N3O6/c1-18-22(10-7-11-24(18)30(33)34)25(31)36-29(26(32)35-27(2,3)4)17-19-12-14-20(15-13-19)23-9-6-5-8-21(23)16-28/h5-15H,17H2,1-4H3