[(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 2-methoxy-5-nitro-benzoate

Systemtic Name: [(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 2-methoxy-5-nitro-benzoate Openeye Name: [(1S)-1-methyl-2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [(2S)-1-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [(1S)-2-[4-(isobutyrylamino)phenyl]-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7/c1-12(2)20(25)22-15-7-5-14(6-8-15)19(24)13(3)30-21(26)17-11-16(23(27)28)9-10-18(17)29-4/h5-13H,1-4H3,(H,22,25)/t13-/m0/s1