5-azanyl-2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-(2,4-dinitrophenyl)hexanoate

Systemtic Name: 5-azanyl-2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-(2,4-dinitrophenyl)hexanoate Openeye Name: 5-amino-2-(2,4-dinitrophenyl)-2-(2,5-dioxopyrrolidin-1-yl)hexanoate CAS Name: 5-amino-2-(2,4-dinitrophenyl)-2-(2,5-dioxo-1-pyrrolidinyl)hexanoate IUPAC Name: 5-amino-2-(2,4-dinitrophenyl)-2-(2,5-dioxopyrrolidin-1-yl)hexanoate Traditional Name: 5-amino-2-(2,4-dinitrophenyl)-2-succinimido-hexanoate Formula: C16H17N4O8- MolecularWeight: 393.32818

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])(C(=O)[O-])N2C(=O)CCC2=O)N

Isomeric SMILES

CC(CCC(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])(C(=O)[O-])N2C(=O)CCC2=O)N

InChI

InChI=1S/C16H18N4O8/c1-9(17)6-7-16(15(23)24,18-13(21)4-5-14(18)22)11-3-2-10(19(25)26)8-12(11)20(27)28/h2-3,8-9H,4-7,17H2,1H3,(H,23,24)/p-1