3-[bis(2-chloroethyl)amino]-3-nitro-1-phenyl-propan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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