(2S)-3-azanyl-2-[2-(6-methyl-2-nitro-pyridin-3-yl)oxyethanoyl]but-3-enenitrile

Systemtic Name: (2S)-3-azanyl-2-[2-(6-methyl-2-nitro-pyridin-3-yl)oxyethanoyl]but-3-enenitrile Openeye Name: (2S)-3-amino-2-[2-[(6-methyl-2-nitro-3-pyridyl)oxy]acetyl]but-3-enenitrile CAS Name: (2S)-3-amino-2-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-1-oxoethyl]-3-butenenitrile IUPAC Name: (2S)-3-amino-2-[2-(6-methyl-2-nitropyridin-3-yl)oxyacetyl]but-3-enenitrile Traditional Name: (2S)-3-amino-2-[2-[(6-methyl-2-nitro-3-pyridyl)oxy]acetyl]but-3-enenitrile Formula: C12H12N4O4 MolecularWeight: 276.24808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NC(=C(C=C1)OCC(=O)[C@H](C#N)C(=C)N)[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/t9-/m1/s1