(1S)-1-(4-chloranyl-3-nitro-phenyl)-N-methyl-N-(phenylmethyl)ethane-1,2-diamine

Systemtic Name: (1S)-1-(4-chloranyl-3-nitro-phenyl)-N-methyl-N-(phenylmethyl)ethane-1,2-diamine Openeye Name: (1S)-N-benzyl-1-(4-chloro-3-nitro-phenyl)-N-methyl-ethane-1,2-diamine CAS Name: (1S)-1-(4-chloro-3-nitrophenyl)-N-methyl-N-(phenylmethyl)ethane-1,2-diamine IUPAC Name: (1S)-N-benzyl-1-(4-chloro-3-nitrophenyl)-N-methylethane-1,2-diamine Traditional Name: [(1S)-2-amino-1-(4-chloro-3-nitro-phenyl)ethyl]-benzyl-methyl-amine Formula: C16H18ClN3O2 MolecularWeight: 319.78602

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(CN)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1)[C@H](CN)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H18ClN3O2/c1-19(11-12-5-3-2-4-6-12)16(10-18)13-7-8-14(17)15(9-13)20(21)22/h2-9,16H,10-11,18H2,1H3/t16-/m1/s1