(2S,3S)-2-[(2-chloranyl-3-nitro-phenyl)methylamino]-3-methyl-pentan-1-ol

Systemtic Name: (2S,3S)-2-[(2-chloranyl-3-nitro-phenyl)methylamino]-3-methyl-pentan-1-ol Openeye Name: (2S,3S)-2-[(2-chloro-3-nitro-phenyl)methylamino]-3-methyl-pentan-1-ol CAS Name: (2S,3S)-2-[(2-chloro-3-nitrophenyl)methylamino]-3-methyl-1-pentanol IUPAC Name: (2S,3S)-2-[(2-chloro-3-nitrophenyl)methylamino]-3-methylpentan-1-ol Traditional Name: (2S,3S)-2-[(2-chloro-3-nitro-benzyl)amino]-3-methyl-pentan-1-ol Formula: C13H19ClN2O3 MolecularWeight: 286.75456

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CO)NCC1=C(C(=CC=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CC[C@H](C)[C@@H](CO)NCC1=C(C(=CC=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H19ClN2O3/c1-3-9(2)11(8-17)15-7-10-5-4-6-12(13(10)14)16(18)19/h4-6,9,11,15,17H,3,7-8H2,1-2H3/t9-,11+/m0/s1