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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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