4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-N,N-bis(2-chloroethyl)benzeneamine oxide

Systemtic Name: 4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-N,N-bis(2-chloroethyl)benzeneamine oxide Openeye Name: 4-(2-amino-3-hydroxy-3-oxo-propyl)-N,N-bis(2-chloroethyl)benzeneamine oxide CAS Name: 4-(2-amino-3-hydroxy-3-oxopropyl)-N,N-bis(2-chloroethyl)benzeneamine oxide IUPAC Name: 4-(2-amino-3-hydroxy-3-oxopropyl)-N,N-bis(2-chloroethyl)benzeneamine oxide Traditional Name: 4-(2-amino-3-hydroxy-3-keto-propyl)-N,N-bis(2-chloroethyl)benzeneamine oxide Formula: C13H18Cl2N2O3 MolecularWeight: 321.19962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N)[N+](CCCl)(CCCl)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)N)[N+](CCCl)(CCCl)[O-]

InChI

InChI=1S/C13H18Cl2N2O3/c14-5-7-17(20,8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)