[(E)-1-azanyl-2-nitro-ethenyl]-[(6-chloranylpyridin-3-yl)methyl]-methyl-propan-2-yl-azanium

Systemtic Name: [(E)-1-azanyl-2-nitro-ethenyl]-[(6-chloranylpyridin-3-yl)methyl]-methyl-propan-2-yl-azanium Openeye Name: [(E)-1-amino-2-nitro-vinyl]-[(6-chloro-3-pyridyl)methyl]-isopropyl-methyl-ammonium CAS Name: [(E)-1-amino-2-nitroethenyl]-[(6-chloro-3-pyridinyl)methyl]-methyl-propan-2-ylammonium IUPAC Name: [(E)-1-amino-2-nitroethenyl]-[(6-chloropyridin-3-yl)methyl]-methyl-propan-2-ylazanium Traditional Name: [(E)-1-amino-2-nitro-vinyl]-[(6-chloro-3-pyridyl)methyl]-isopropyl-methyl-ammonium Formula: C12H18ClN4O2+ MolecularWeight: 285.74992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18ClN4O2/c1-9(2)17(3,12(14)7-16(18)19)8-10-4-5-11(13)15-6-10/h4-7,9H,8,14H2,1-3H3/q+1/b12-7+