[(2S)-1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 4-nitrobenzoate

Systemtic Name: [(2S)-1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 4-nitrobenzoate Openeye Name: [(1S)-2-[4-(butanoylamino)phenyl]-1-methyl-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S)-1-oxo-1-[4-(1-oxobutylamino)phenyl]propan-2-yl] ester IUPAC Name: [(2S)-1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S)-2-(4-butyramidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O6/c1-3-4-18(23)21-16-9-5-14(6-10-16)19(24)13(2)28-20(25)15-7-11-17(12-8-15)22(26)27/h5-13H,3-4H2,1-2H3,(H,21,23)/t13-/m0/s1