4-carboxy-3-(3-nitrophenyl)-N,1-bis(oxidanyl)-1,5-bis(oxidanylidene)-5-phenyl-pentan-2-imine oxide

Systemtic Name: 4-carboxy-3-(3-nitrophenyl)-N,1-bis(oxidanyl)-1,5-bis(oxidanylidene)-5-phenyl-pentan-2-imine oxide Openeye Name: 4-benzoyl-N,1,5-trihydroxy-3-(3-nitrophenyl)-1,5-dioxo-pentan-2-imine oxide CAS Name: 4-benzoyl-N,1,5-trihydroxy-3-(3-nitrophenyl)-1,5-dioxo-2-pentanimine oxide IUPAC Name: 4-benzoyl-N,1,5-trihydroxy-3-(3-nitrophenyl)-1,5-dioxopentan-2-imine oxide Traditional Name: 4-benzoyl-N,1,5-trihydroxy-1,5-diketo-3-(3-nitrophenyl)pentan-2-imine oxide Formula: C18H14N2O9 MolecularWeight: 402.31176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(C(C2=CC(=CC=C2)[N+](=O)[O-])/C(=[N+](\O)/[O-])/C(=O)O)C(=O)O

InChI

InChI=1S/C18H14N2O9/c21-16(10-5-2-1-3-6-10)14(17(22)23)13(15(18(24)25)20(28)29)11-7-4-8-12(9-11)19(26)27/h1-9,13-14H,(H,22,23)(H,24,25)(H,28,29)