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

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C21H17N3O8 MolecularWeight: 439.37498

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O8/c1-2-9-22-21(29)23-15(25)10-32-20(28)14-8-7-13-16(17(14)24(30)31)19(27)12-6-4-3-5-11(12)18(13)26/h3-8H,2,9-10H2,1H3,(H2,22,23,25,29)