4-[7-(2-chloranyl-3-methanoyl-4-nitro-phenoxy)heptanoyl-cyclohexyl-amino]butyl ethanoate

Systemtic Name: 4-[7-(2-chloranyl-3-methanoyl-4-nitro-phenoxy)heptanoyl-cyclohexyl-amino]butyl ethanoate Openeye Name: 4-[7-(2-chloro-3-formyl-4-nitro-phenoxy)heptanoyl-cyclohexyl-amino]butyl acetate CAS Name: acetic acid 4-[[7-(2-chloro-3-formyl-4-nitrophenoxy)-1-oxoheptyl]-cyclohexylamino]butyl ester IUPAC Name: 4-[7-(2-chloro-3-formyl-4-nitrophenoxy)heptanoyl-cyclohexylamino]butyl acetate Traditional Name: acetic acid 4-[7-(2-chloro-3-formyl-4-nitro-phenoxy)heptanoyl-cyclohexyl-amino]butyl ester Formula: C26H37ClN2O7 MolecularWeight: 525.03418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCN(C1CCCCC1)C(=O)CCCCCCOC2=C(C(=C(C=C2)[N+](=O)[O-])C=O)Cl

Isomeric SMILES

CC(=O)OCCCCN(C1CCCCC1)C(=O)CCCCCCOC2=C(C(=C(C=C2)[N+](=O)[O-])C=O)Cl

InChI

InChI=1S/C26H37ClN2O7/c1-20(31)35-17-10-8-16-28(21-11-5-4-6-12-21)25(32)13-7-2-3-9-18-36-24-15-14-23(29(33)34)22(19-30)26(24)27/h14-15,19,21H,2-13,16-18H2,1H3