propan-2-yl 3-[[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-[[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[(2-methyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[(2-methyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-[(1,3-diketo-2-methyl-isoindoline-5-carbonyl)amino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C22H21N3O7 MolecularWeight: 439.41804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C

InChI

InChI=1S/C22H21N3O7/c1-12(2)32-19(26)11-17(15-6-4-5-7-18(15)25(30)31)23-20(27)13-8-9-14-16(10-13)22(29)24(3)21(14)28/h4-10,12,17H,11H2,1-3H3,(H,23,27)