propan-2-yl 3-[2-[(2-methylphenyl)carbonylamino]ethanoylamino]-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-[2-[(2-methylphenyl)carbonylamino]ethanoylamino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[[2-[(2-methylbenzoyl)amino]acetyl]amino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[2-[[(2-methylphenyl)-oxomethyl]amino]-1-oxoethyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-[(2-methylbenzoyl)amino]acetyl]amino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-(2-nitrophenyl)-3-[[2-(o-toluoylamino)acetyl]amino]propionic acid isopropyl ester Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCC(=O)NC(CC(=O)OC(C)C)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCC(=O)NC(CC(=O)OC(C)C)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O6/c1-14(2)31-21(27)12-18(17-10-6-7-11-19(17)25(29)30)24-20(26)13-23-22(28)16-9-5-4-8-15(16)3/h4-11,14,18H,12-13H2,1-3H3,(H,23,28)(H,24,26)