propan-2-yl 3-[(4-imidazol-1-yl-3-nitro-phenyl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: propan-2-yl 3-[(4-imidazol-1-yl-3-nitro-phenyl)carbonylamino]-3-phenyl-propanoate Openeye Name: isopropyl 3-[(4-imidazol-1-yl-3-nitro-benzoyl)amino]-3-phenyl-propanoate CAS Name: 3-[[[4-(1-imidazolyl)-3-nitrophenyl]-oxomethyl]amino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[(4-imidazol-1-yl-3-nitrobenzoyl)amino]-3-phenylpropanoate Traditional Name: 3-[(4-imidazol-1-yl-3-nitro-benzoyl)amino]-3-phenyl-propionic acid isopropyl ester Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5/c1-15(2)31-21(27)13-18(16-6-4-3-5-7-16)24-22(28)17-8-9-19(20(12-17)26(29)30)25-11-10-23-14-25/h3-12,14-15,18H,13H2,1-2H3,(H,24,28)