tert-butyl N-[[4-(2-aminocarbonylphenyl)phenyl]methyl]carbamate; methyl 3-nitrobenzoate

Systemtic Name: tert-butyl N-[[4-(2-aminocarbonylphenyl)phenyl]methyl]carbamate; methyl 3-nitrobenzoate Openeye Name: tert-butyl N-[[4-(2-carbamoylphenyl)phenyl]methyl]carbamate; methyl 3-nitrobenzoate CAS Name: N-[[4-(2-carbamoylphenyl)phenyl]methyl]carbamic acid tert-butyl ester; 3-nitrobenzoic acid methyl ester IUPAC Name: tert-butyl N-[[4-(2-carbamoylphenyl)phenyl]methyl]carbamate; methyl 3-nitrobenzoate Traditional Name: N-[4-(2-carbamoylphenyl)benzyl]carbamic acid tert-butyl ester; 3-nitrobenzoic acid methyl ester Formula: C27H29N3O7 MolecularWeight: 507.53506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C2=CC=CC=C2C(=O)N.COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C2=CC=CC=C2C(=O)N.COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O3.C8H7NO4/c1-19(2,3)24-18(23)21-12-13-8-10-14(11-9-13)15-6-4-5-7-16(15)17(20)22;1-13-8(10)6-3-2-4-7(5-6)9(11)12/h4-11H,12H2,1-3H3,(H2,20,22)(H,21,23);2-5H,1H3