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

Systemtic Name: 1-[bis(2-chloroethyl)amino]-1-(4-nitrophenoxy)hexan-3-one Openeye Name: 1-[bis(2-chloroethyl)amino]-1-(4-nitrophenoxy)hexan-3-one CAS Name: 1-[bis(2-chloroethyl)amino]-1-(4-nitrophenoxy)-3-hexanone IUPAC Name: 1-[bis(2-chloroethyl)amino]-1-(4-nitrophenoxy)hexan-3-one Traditional Name: 1-[bis(2-chloroethyl)amino]-1-(4-nitrophenoxy)hexan-3-one Formula: C16H22Cl2N2O4 MolecularWeight: 377.26288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22Cl2N2O4/c1-2-3-14(21)12-16(19(10-8-17)11-9-18)24-15-6-4-13(5-7-15)20(22)23/h4-7,16H,2-3,8-12H2,1H3