[4-[2-(3-methylbutanoylamino)ethyl]-2-nitro-phenyl] 3-methylbutanoate

Systemtic Name: [4-[2-(3-methylbutanoylamino)ethyl]-2-nitro-phenyl] 3-methylbutanoate Openeye Name: [4-[2-(3-methylbutanoylamino)ethyl]-2-nitro-phenyl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [4-[2-[(3-methyl-1-oxobutyl)amino]ethyl]-2-nitrophenyl] ester IUPAC Name: [4-[2-(3-methylbutanoylamino)ethyl]-2-nitrophenyl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [4-[2-(isovalerylamino)ethyl]-2-nitro-phenyl] ester Formula: C18H26N2O5 MolecularWeight: 350.40944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCCC1=CC(=C(C=C1)OC(=O)CC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NCCC1=CC(=C(C=C1)OC(=O)CC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H26N2O5/c1-12(2)9-17(21)19-8-7-14-5-6-16(15(11-14)20(23)24)25-18(22)10-13(3)4/h5-6,11-13H,7-10H2,1-4H3,(H,19,21)