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

Systemtic Name: [1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate Openeye Name: [2-[4-(butanoylamino)phenyl]-1-methyl-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [1-oxo-1-[4-(1-oxobutylamino)phenyl]propan-2-yl] ester IUPAC Name: [1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [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=CC=C2[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O6/c1-3-6-18(23)21-15-11-9-14(10-12-15)19(24)13(2)28-20(25)16-7-4-5-8-17(16)22(26)27/h4-5,7-13H,3,6H2,1-2H3,(H,21,23)