5-[(1S)-1-(2,5-dimethyl-3,6-dinitro-phenyl)ethyl]-2-methyl-pyridine

Systemtic Name: 5-[(1S)-1-(2,5-dimethyl-3,6-dinitro-phenyl)ethyl]-2-methyl-pyridine Openeye Name: 5-[(1S)-1-(2,5-dimethyl-3,6-dinitro-phenyl)ethyl]-2-methyl-pyridine CAS Name: 5-[(1S)-1-(2,5-dimethyl-3,6-dinitrophenyl)ethyl]-2-methylpyridine IUPAC Name: 5-[(1S)-1-(2,5-dimethyl-3,6-dinitrophenyl)ethyl]-2-methylpyridine Traditional Name: 5-[(1S)-1-(2,5-dimethyl-3,6-dinitro-phenyl)ethyl]-2-methyl-pyridine Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(C)C2=C(C(=CC(=C2C)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(C=C1)[C@H](C)C2=C(C(=CC(=C2C)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O4/c1-9-7-14(18(20)21)12(4)15(16(9)19(22)23)11(3)13-6-5-10(2)17-8-13/h5-8,11H,1-4H3/t11-/m0/s1