(E)-4-(1,3-diazido-2,3-dihydro-1H-inden-5-yl)-4-oxidanyl-2-oxidanylidene-but-3-enoic acid

Systemtic Name: (E)-4-(1,3-diazido-2,3-dihydro-1H-inden-5-yl)-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-(1,3-diazidoindan-5-yl)-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-(1,3-diazido-2,3-dihydro-1H-inden-5-yl)-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-4-(1,3-diazido-2,3-dihydro-1H-inden-5-yl)-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-(1,3-diazidoindan-5-yl)-4-hydroxy-2-keto-but-3-enoic acid Formula: C13H10N6O4 MolecularWeight: 314.2563

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(C1N=[N+]=[N-])C=C(C=C2)C(=CC(=O)C(=O)O)O)N=[N+]=[N-]

Isomeric SMILES

C1C(C2=C(C1N=[N+]=[N-])C=C(C=C2)/C(=C\C(=O)C(=O)O)/O)N=[N+]=[N-]

InChI

InChI=1S/C13H10N6O4/c14-18-16-9-4-10(17-19-15)8-3-6(1-2-7(8)9)11(20)5-12(21)13(22)23/h1-3,5,9-10,20H,4H2,(H,22,23)/b11-5+