propan-2-yl 3-[[4-(4-bromophenyl)-4-oxidanylidene-butanoyl]amino]-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-[[4-(4-bromophenyl)-4-oxidanylidene-butanoyl]amino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[[4-(4-bromophenyl)-4-oxo-butanoyl]amino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[4-(4-bromophenyl)-1,4-dioxobutyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-[[4-(4-bromophenyl)-4-keto-butanoyl]amino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C22H23BrN2O6 MolecularWeight: 491.33182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN2O6/c1-14(2)31-22(28)13-18(17-5-3-4-6-19(17)25(29)30)24-21(27)12-11-20(26)15-7-9-16(23)10-8-15/h3-10,14,18H,11-13H2,1-2H3,(H,24,27)