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

Systemtic Name: 6-azanyl-2-(4-azido-2-nitro-phenyl)-2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]hexanoic acid Openeye Name: 6-amino-2-(4-azido-2-nitro-phenyl)-2-(2,5-dioxopyrrolidin-1-yl)hexanoic acid CAS Name: 6-amino-2-(4-azido-2-nitrophenyl)-2-(2,5-dioxo-1-pyrrolidinyl)hexanoic acid IUPAC Name: 6-amino-2-(4-azido-2-nitrophenyl)-2-(2,5-dioxopyrrolidin-1-yl)hexanoic acid Traditional Name: 6-amino-2-(4-azido-2-nitro-phenyl)-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(CCCCN)(C2=C(C=C(C=C2)N=[N+]=[N-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H18N6O6/c17-8-2-1-7-16(15(25)26,21-13(23)5-6-14(21)24)11-4-3-10(19-20-18)9-12(11)22(27)28/h3-4,9H,1-2,5-8,17H2,(H,25,26)