[2-[[3-chloranyl-9,10-bis(oxidanylidene)anthracen-2-yl]amino]-2-oxidanylidene-ethyl] 3-phenylpropanoate

Systemtic Name: [2-[[3-chloranyl-9,10-bis(oxidanylidene)anthracen-2-yl]amino]-2-oxidanylidene-ethyl] 3-phenylpropanoate Openeye Name: [2-[(3-chloro-9,10-dioxo-2-anthryl)amino]-2-oxo-ethyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [2-[(3-chloro-9,10-dioxo-2-anthracenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-chloro-9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-[(3-chloro-9,10-diketo-2-anthryl)amino]-2-keto-ethyl] ester Formula: C25H18ClNO5 MolecularWeight: 447.86712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)OCC(=O)NC2=C(C=C3C(=C2)C(=O)C4=CC=CC=C4C3=O)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)OCC(=O)NC2=C(C=C3C(=C2)C(=O)C4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C25H18ClNO5/c26-20-12-18-19(25(31)17-9-5-4-8-16(17)24(18)30)13-21(20)27-22(28)14-32-23(29)11-10-15-6-2-1-3-7-15/h1-9,12-13H,10-11,14H2,(H,27,28)