2-[cyclopentyl-[4-(4-methanoyl-3-methyl-5-nitro-phenoxy)butanoyl]amino]ethyl ethanoate

Systemtic Name: 2-[cyclopentyl-[4-(4-methanoyl-3-methyl-5-nitro-phenoxy)butanoyl]amino]ethyl ethanoate Openeye Name: 2-[cyclopentyl-[4-(4-formyl-3-methyl-5-nitro-phenoxy)butanoyl]amino]ethyl acetate CAS Name: acetic acid 2-[cyclopentyl-[4-(4-formyl-3-methyl-5-nitrophenoxy)-1-oxobutyl]amino]ethyl ester IUPAC Name: 2-[cyclopentyl-[4-(4-formyl-3-methyl-5-nitrophenoxy)butanoyl]amino]ethyl acetate Traditional Name: acetic acid 2-[cyclopentyl-[4-(4-formyl-3-methyl-5-nitro-phenoxy)butanoyl]amino]ethyl ester Formula: C21H28N2O7 MolecularWeight: 420.45622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C=O)[N+](=O)[O-])OCCCC(=O)N(CCOC(=O)C)C2CCCC2

Isomeric SMILES

CC1=CC(=CC(=C1C=O)[N+](=O)[O-])OCCCC(=O)N(CCOC(=O)C)C2CCCC2

InChI

InChI=1S/C21H28N2O7/c1-15-12-18(13-20(23(27)28)19(15)14-24)30-10-5-8-21(26)22(9-11-29-16(2)25)17-6-3-4-7-17/h12-14,17H,3-11H2,1-2H3