[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C25H16N2O9 MolecularWeight: 488.40254

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

InChI

InChI=1S/C25H16N2O9/c28-20(26-10-13-5-8-18-19(9-13)36-12-35-18)11-34-25(31)17-7-6-16-21(22(17)27(32)33)24(30)15-4-2-1-3-14(15)23(16)29/h1-9H,10-12H2,(H,26,28)