methyl (Z)-4-(3-nitro-1,2,4-triazol-1-yl)but-2-enoate

Systemtic Name: methyl (Z)-4-(3-nitro-1,2,4-triazol-1-yl)but-2-enoate Openeye Name: methyl (Z)-4-(3-nitro-1,2,4-triazol-1-yl)but-2-enoate CAS Name: (Z)-4-(3-nitro-1,2,4-triazol-1-yl)-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-4-(3-nitro-1,2,4-triazol-1-yl)but-2-enoate Traditional Name: (Z)-4-(3-nitro-1,2,4-triazol-1-yl)but-2-enoic acid methyl ester Formula: C7H8N4O4 MolecularWeight: 212.16282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCN1C=NC(=N1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)/C=C\CN1C=NC(=N1)[N+](=O)[O-]

InChI

InChI=1S/C7H8N4O4/c1-15-6(12)3-2-4-10-5-8-7(9-10)11(13)14/h2-3,5H,4H2,1H3/b3-2-