tert-butyl 4-acetamido-3-[2-azanyl-4-(3-nitrophenyl)imidazol-1-yl]benzoate

Systemtic Name: tert-butyl 4-acetamido-3-[2-azanyl-4-(3-nitrophenyl)imidazol-1-yl]benzoate Openeye Name: tert-butyl 4-acetamido-3-[2-amino-4-(3-nitrophenyl)imidazol-1-yl]benzoate CAS Name: 4-acetamido-3-[2-amino-4-(3-nitrophenyl)-1-imidazolyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-acetamido-3-[2-amino-4-(3-nitrophenyl)imidazol-1-yl]benzoate Traditional Name: 4-acetamido-3-[2-amino-4-(3-nitrophenyl)imidazol-1-yl]benzoic acid tert-butyl ester Formula: C22H23N5O5 MolecularWeight: 437.44852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)OC(C)(C)C)N2C=C(N=C2N)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)OC(C)(C)C)N2C=C(N=C2N)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O5/c1-13(28)24-17-9-8-15(20(29)32-22(2,3)4)11-19(17)26-12-18(25-21(26)23)14-6-5-7-16(10-14)27(30)31/h5-12H,1-4H3,(H2,23,25)(H,24,28)