[2-[2-(4-methylphenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: [2-[2-(4-methylphenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [2-[2-(4-methylbenzoyl)hydrazino]-2-oxo-ethyl] 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid [2-[[(4-methylphenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl] 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid [2-keto-2-(N'-p-toluoylhydrazino)ethyl] ester Formula: C25H17N3O8 MolecularWeight: 487.41778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NNC(=O)COC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NNC(=O)COC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C25H17N3O8/c1-13-6-8-14(9-7-13)24(32)27-26-19(29)12-36-25(33)18-11-10-17-20(21(18)28(34)35)23(31)16-5-3-2-4-15(16)22(17)30/h2-11H,12H2,1H3,(H,26,29)(H,27,32)