[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 1-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 1-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: (1-allophanoyl-2-methyl-propyl) 1-chloro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-chloro-9,10-dioxo-2-anthracenecarboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 1-chloro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-chloro-9,10-diketo-anthracene-2-carboxylic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C21H17ClN2O6 MolecularWeight: 428.82248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)Cl

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)Cl

InChI

InChI=1S/C21H17ClN2O6/c1-9(2)18(19(27)24-21(23)29)30-20(28)13-8-7-12-14(15(13)22)17(26)11-6-4-3-5-10(11)16(12)25/h3-9,18H,1-2H3,(H3,23,24,27,29)