propan-2-yl 3-[(3-acetamido-4-methyl-phenyl)carbonylamino]-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-[(3-acetamido-4-methyl-phenyl)carbonylamino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[(3-acetamido-4-methyl-benzoyl)amino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[(3-acetamido-4-methylphenyl)-oxomethyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[(3-acetamido-4-methylbenzoyl)amino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-[(3-acetamido-4-methyl-benzoyl)amino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(CC(=O)OC(C)C)C2=CC=CC=C2[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(CC(=O)OC(C)C)C2=CC=CC=C2[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C22H25N3O6/c1-13(2)31-21(27)12-19(17-7-5-6-8-20(17)25(29)30)24-22(28)16-10-9-14(3)18(11-16)23-15(4)26/h5-11,13,19H,12H2,1-4H3,(H,23,26)(H,24,28)