6-[(4-azido-2-nitro-phenyl)amino]-2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]hexanoic acid

Systemtic Name: 6-[(4-azido-2-nitro-phenyl)amino]-2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]hexanoic acid Openeye Name: 6-(4-azido-2-nitro-anilino)-2-(2,5-dioxopyrrolidin-1-yl)hexanoic acid CAS Name: 6-(4-azido-2-nitroanilino)-2-(2,5-dioxo-1-pyrrolidinyl)hexanoic acid IUPAC Name: 6-(4-azido-2-nitroanilino)-2-(2,5-dioxopyrrolidin-1-yl)hexanoic acid Traditional Name: 6-(4-azido-2-nitro-anilino)-2-succinimido-hexanoic acid Formula: C16H18N6O6 MolecularWeight: 390.35072

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1=O)C(CCCCNC2=C(C=C(C=C2)N=[N+]=[N-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC(=O)N(C1=O)C(CCCCNC2=C(C=C(C=C2)N=[N+]=[N-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H18N6O6/c17-20-19-10-4-5-11(13(9-10)22(27)28)18-8-2-1-3-12(16(25)26)21-14(23)6-7-15(21)24/h4-5,9,12,18H,1-3,6-8H2,(H,25,26)