[cyclohexyl-[4-(2-ethanoyl-3-nitro-phenoxy)butanoyl]amino]methyl ethanoate

Systemtic Name: [cyclohexyl-[4-(2-ethanoyl-3-nitro-phenoxy)butanoyl]amino]methyl ethanoate Openeye Name: [4-(2-acetyl-3-nitro-phenoxy)butanoyl-cyclohexyl-amino]methyl acetate CAS Name: acetic acid [[4-(2-acetyl-3-nitrophenoxy)-1-oxobutyl]-cyclohexylamino]methyl ester IUPAC Name: [4-(2-acetyl-3-nitrophenoxy)butanoyl-cyclohexylamino]methyl acetate Traditional Name: acetic acid [4-(2-acetyl-3-nitro-phenoxy)butanoyl-cyclohexyl-amino]methyl ester Formula: C21H28N2O7 MolecularWeight: 420.45622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC=C1OCCCC(=O)N(COC(=O)C)C2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=C(C=CC=C1OCCCC(=O)N(COC(=O)C)C2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C21H28N2O7/c1-15(24)21-18(23(27)28)10-6-11-19(21)29-13-7-12-20(26)22(14-30-16(2)25)17-8-4-3-5-9-17/h6,10-11,17H,3-5,7-9,12-14H2,1-2H3