3-[bis(2-chloroethyl)amino]-1-(4-nitrophenyl)propan-1-one

Systemtic Name: 3-[bis(2-chloroethyl)amino]-1-(4-nitrophenyl)propan-1-one Openeye Name: 3-[bis(2-chloroethyl)amino]-1-(4-nitrophenyl)propan-1-one CAS Name: 3-[bis(2-chloroethyl)amino]-1-(4-nitrophenyl)-1-propanone IUPAC Name: 3-[bis(2-chloroethyl)amino]-1-(4-nitrophenyl)propan-1-one Traditional Name: 3-[bis(2-chloroethyl)amino]-1-(4-nitrophenyl)propan-1-one Formula: C13H16Cl2N2O3 MolecularWeight: 319.18374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCN(CCCl)CCCl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCN(CCCl)CCCl)[N+](=O)[O-]

InChI

InChI=1S/C13H16Cl2N2O3/c14-6-9-16(10-7-15)8-5-13(18)11-1-3-12(4-2-11)17(19)20/h1-4H,5-10H2