methyl 2-[[9,10-bis(oxidanylidene)anthracen-1-yl]carbamoylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[[9,10-bis(oxidanylidene)anthracen-1-yl]carbamoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[(9,10-dioxo-1-anthryl)carbamoylamino]-3-methyl-pentanoate CAS Name: 2-[[[(9,10-dioxo-1-anthracenyl)amino]-oxomethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(9,10-dioxoanthracen-1-yl)carbamoylamino]-3-methylpentanoate Traditional Name: 2-[(9,10-diketo-1-anthryl)carbamoylamino]-3-methyl-valeric acid methyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)NC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)NC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H22N2O5/c1-4-12(2)18(21(27)29-3)24-22(28)23-16-11-7-10-15-17(16)20(26)14-9-6-5-8-13(14)19(15)25/h5-12,18H,4H2,1-3H3,(H2,23,24,28)