3-[[(E)-2-(2-azidoethanoylcarbamoyl)-3-oxidanylidene-but-1-enyl]amino]pyrazine-2-carboxylic acid

Systemtic Name: 3-[[(E)-2-(2-azidoethanoylcarbamoyl)-3-oxidanylidene-but-1-enyl]amino]pyrazine-2-carboxylic acid Openeye Name: 3-[[(E)-2-[(2-azidoacetyl)carbamoyl]-3-oxo-but-1-enyl]amino]pyrazine-2-carboxylic acid CAS Name: 3-[[(E)-2-[[(2-azido-1-oxoethyl)amino]-oxomethyl]-3-oxobut-1-enyl]amino]-2-pyrazinecarboxylic acid IUPAC Name: 3-[[(E)-2-[(2-azidoacetyl)carbamoyl]-3-oxobut-1-enyl]amino]pyrazine-2-carboxylic acid Traditional Name: 3-[[(E)-2-[(2-azidoacetyl)carbamoyl]-3-keto-but-1-enyl]amino]pyrazinoic acid Formula: C12H11N7O5 MolecularWeight: 333.25964

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CNC1=NC=CN=C1C(=O)O)C(=O)NC(=O)CN=[N+]=[N-]

Isomeric SMILES

CC(=O)/C(=C\NC1=NC=CN=C1C(=O)O)/C(=O)NC(=O)CN=[N+]=[N-]

InChI

InChI=1S/C12H11N7O5/c1-6(20)7(11(22)18-8(21)5-17-19-13)4-16-10-9(12(23)24)14-2-3-15-10/h2-4H,5H2,1H3,(H,15,16)(H,23,24)(H,18,21,22)/b7-4+