1-[2-[2-[bis(2-chloroethyl)amino]ethoxy]-5-nitro-phenyl]butan-1-one

Systemtic Name: 1-[2-[2-[bis(2-chloroethyl)amino]ethoxy]-5-nitro-phenyl]butan-1-one Openeye Name: 1-[2-[2-[bis(2-chloroethyl)amino]ethoxy]-5-nitro-phenyl]butan-1-one CAS Name: 1-[2-[2-[bis(2-chloroethyl)amino]ethoxy]-5-nitrophenyl]-1-butanone IUPAC Name: 1-[2-[2-[bis(2-chloroethyl)amino]ethoxy]-5-nitrophenyl]butan-1-one Traditional Name: 1-[2-[2-[bis(2-chloroethyl)amino]ethoxy]-5-nitro-phenyl]butan-1-one Formula: C16H22Cl2N2O4 MolecularWeight: 377.26288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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