[1-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-3-chloranyl-benzoate

Systemtic Name: [1-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-3-chloranyl-benzoate Openeye Name: [2-[(9,10-dioxo-1-anthryl)amino]-1-methyl-2-oxo-ethyl] 2-amino-3-chloro-benzoate CAS Name: 2-amino-3-chlorobenzoic acid [1-[(9,10-dioxo-1-anthracenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(9,10-dioxoanthracen-1-yl)amino]-1-oxopropan-2-yl] 2-amino-3-chlorobenzoate Traditional Name: 2-amino-3-chloro-benzoic acid [2-[(9,10-diketo-1-anthryl)amino]-2-keto-1-methyl-ethyl] ester Formula: C24H17ClN2O5 MolecularWeight: 448.85518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O)OC(=O)C4=C(C(=CC=C4)Cl)N

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O)OC(=O)C4=C(C(=CC=C4)Cl)N

InChI

InChI=1S/C24H17ClN2O5/c1-12(32-24(31)16-9-4-10-17(25)20(16)26)23(30)27-18-11-5-8-15-19(18)22(29)14-7-3-2-6-13(14)21(15)28/h2-12H,26H2,1H3,(H,27,30)