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

Systemtic Name: 2-[[9,10-bis(oxidanylidene)anthracen-2-yl]carbamoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[(9,10-dioxo-2-anthryl)carbamoylamino]-3-methyl-pentanoic acid CAS Name: 2-[[[(9,10-dioxo-2-anthracenyl)amino]-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[(9,10-dioxoanthracen-2-yl)carbamoylamino]-3-methylpentanoic acid Traditional Name: 2-[(9,10-diketo-2-anthryl)carbamoylamino]-3-methyl-valeric acid Formula: C21H20N2O5 MolecularWeight: 380.3939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H20N2O5/c1-3-11(2)17(20(26)27)23-21(28)22-12-8-9-15-16(10-12)19(25)14-7-5-4-6-13(14)18(15)24/h4-11,17H,3H2,1-2H3,(H,26,27)(H2,22,23,28)