5-[[3-nitro-5-[(5-oxidanyl-5-oxidanylidene-pentanoyl)amino]phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[3-nitro-5-[(5-oxidanyl-5-oxidanylidene-pentanoyl)amino]phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-[(5-hydroxy-5-oxo-pentanoyl)amino]-5-nitro-anilino]-5-oxo-pentanoic acid CAS Name: 5-[3-[(5-hydroxy-1,5-dioxopentyl)amino]-5-nitroanilino]-5-oxopentanoic acid IUPAC Name: 5-[3-[(5-hydroxy-5-oxopentanoyl)amino]-5-nitroanilino]-5-oxopentanoic acid Traditional Name: 5-[3-[(5-hydroxy-5-keto-pentanoyl)amino]-5-nitro-anilino]-5-keto-valeric acid Formula: C16H19N3O8 MolecularWeight: 381.33736

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1NC(=O)CCCC(=O)O)[N+](=O)[O-])NC(=O)CCCC(=O)O

Isomeric SMILES

C1=C(C=C(C=C1NC(=O)CCCC(=O)O)[N+](=O)[O-])NC(=O)CCCC(=O)O

InChI

InChI=1S/C16H19N3O8/c20-13(3-1-5-15(22)23)17-10-7-11(9-12(8-10)19(26)27)18-14(21)4-2-6-16(24)25/h7-9H,1-6H2,(H,17,20)(H,18,21)(H,22,23)(H,24,25)