[(3S)-3-cyano-5-(6-methyl-2-nitro-pyridin-3-yl)oxy-4-oxidanylidene-pent-1-en-2-yl]azanium

Systemtic Name: [(3S)-3-cyano-5-(6-methyl-2-nitro-pyridin-3-yl)oxy-4-oxidanylidene-pent-1-en-2-yl]azanium Openeye Name: [(2S)-2-cyano-1-methylene-4-[(6-methyl-2-nitro-3-pyridyl)oxy]-3-oxo-butyl]ammonium CAS Name: [(3S)-3-cyano-5-[(6-methyl-2-nitro-3-pyridinyl)oxy]-4-oxopent-1-en-2-yl]ammonium IUPAC Name: [(3S)-3-cyano-5-(6-methyl-2-nitropyridin-3-yl)oxy-4-oxopent-1-en-2-yl]azanium Traditional Name: 1-[(1S)-1-cyano-2-keto-3-[(6-methyl-2-nitro-3-pyridyl)oxy]propyl]vinylammonium Formula: C12H13N4O4+ MolecularWeight: 277.25602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)OCC(=O)C(C#N)C(=C)[NH3+])[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C=C1)OCC(=O)[C@H](C#N)C(=C)[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O4/c1-7-3-4-11(12(15-7)16(18)19)20-6-10(17)9(5-13)8(2)14/h3-4,9H,2,6,14H2,1H3/p+1/t9-/m1/s1