1-[2-chloroethyl-[1-(4-nitrophenoxy)-3-oxidanylidene-hexyl]amino]-1-(4-nitrophenoxy)hexan-3-one

Systemtic Name: 1-[2-chloroethyl-[1-(4-nitrophenoxy)-3-oxidanylidene-hexyl]amino]-1-(4-nitrophenoxy)hexan-3-one Openeye Name: 1-[2-chloroethyl-[1-(4-nitrophenoxy)-3-oxo-hexyl]amino]-1-(4-nitrophenoxy)hexan-3-one CAS Name: 1-[2-chloroethyl-[1-(4-nitrophenoxy)-3-oxohexyl]amino]-1-(4-nitrophenoxy)-3-hexanone IUPAC Name: 1-[2-chloroethyl-[1-(4-nitrophenoxy)-3-oxohexyl]amino]-1-(4-nitrophenoxy)hexan-3-one Traditional Name: 1-[2-chloroethyl-[3-keto-1-(4-nitrophenoxy)hexyl]amino]-1-(4-nitrophenoxy)hexan-3-one Formula: C26H32ClN3O8 MolecularWeight: 550.00058

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)CC(N(CCCl)C(CC(=O)CCC)OC1=CC=C(C=C1)[N+](=O)[O-])OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)CC(N(CCCl)C(CC(=O)CCC)OC1=CC=C(C=C1)[N+](=O)[O-])OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C26H32ClN3O8/c1-3-5-21(31)17-25(37-23-11-7-19(8-12-23)29(33)34)28(16-15-27)26(18-22(32)6-4-2)38-24-13-9-20(10-14-24)30(35)36/h7-14,25-26H,3-6,15-18H2,1-2H3