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

Systemtic Name: propan-2-yl 3-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: isopropyl 3-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]-3-phenyl-propanoate CAS Name: 3-[[[4-(cyclopropylamino)-3-nitrophenyl]-oxomethyl]amino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]-3-phenylpropanoate Traditional Name: 3-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]-3-phenyl-propionic acid isopropyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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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)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-14(2)30-21(26)13-19(15-6-4-3-5-7-15)24-22(27)16-8-11-18(23-17-9-10-17)20(12-16)25(28)29/h3-8,11-12,14,17,19,23H,9-10,13H2,1-2H3,(H,24,27)