methyl 4-[(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzoate

Systemtic Name: methyl 4-[(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzoate Openeye Name: methyl 4-[(1S)-1-methyl-2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[(2S)-1-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-1-oxopropan-2-yl]oxy-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl]oxy-3-nitrobenzoate Traditional Name: 4-[(1S)-2-[4-(isobutyrylamino)phenyl]-2-keto-1-methyl-ethoxy]-3-nitro-benzoic acid methyl 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)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)NC(=O)C(C)C)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

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