4-[3,5-bis(azidomethyl)phenyl]-2,4-bis(oxidanylidene)butanoic acid

Systemtic Name: 4-[3,5-bis(azidomethyl)phenyl]-2,4-bis(oxidanylidene)butanoic acid Openeye Name: 4-[3,5-bis(azidomethyl)phenyl]-2,4-dioxo-butanoic acid CAS Name: 4-[3,5-bis(azidomethyl)phenyl]-2,4-dioxobutanoic acid IUPAC Name: 4-[3,5-bis(azidomethyl)phenyl]-2,4-dioxobutanoic acid Traditional Name: 4-[3,5-bis(azidomethyl)phenyl]-2,4-diketo-butyric acid Formula: C12H10N6O4 MolecularWeight: 302.2456

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1CN=[N+]=[N-])C(=O)CC(=O)C(=O)O)CN=[N+]=[N-]

Isomeric SMILES

C1=C(C=C(C=C1CN=[N+]=[N-])C(=O)CC(=O)C(=O)O)CN=[N+]=[N-]

InChI

InChI=1S/C12H10N6O4/c13-17-15-5-7-1-8(6-16-18-14)3-9(2-7)10(19)4-11(20)12(21)22/h1-3H,4-6H2,(H,21,22)