[2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate Openeye Name: [2-[benzyl(isopropyl)amino]-2-oxo-ethyl] 2-[(3-methyl-4-nitro-benzoyl)amino]acetate CAS Name: 2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]acetic acid [2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl] ester IUPAC Name: [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-[(3-methyl-4-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-methyl-4-nitro-benzoyl)amino]acetic acid [2-[benzyl(isopropyl)amino]-2-keto-ethyl] ester Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC(=O)OCC(=O)N(CC2=CC=CC=C2)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC(=O)OCC(=O)N(CC2=CC=CC=C2)C(C)C)[N+](=O)[O-]

InChI

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