[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 1-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 1-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 1-chloro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-chloro-9,10-dioxo-2-anthracenecarboxylic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 1-chloro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-chloro-9,10-diketo-anthracene-2-carboxylic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C23H21ClN2O6 MolecularWeight: 456.87564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)Cl

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)Cl

InChI

InChI=1S/C23H21ClN2O6/c1-12(2)9-10-25-23(31)26-17(27)11-32-22(30)16-8-7-15-18(19(16)24)21(29)14-6-4-3-5-13(14)20(15)28/h3-8,12H,9-11H2,1-2H3,(H2,25,26,27,31)