3,5-bis[[3,5-bis(2-chloranylethanoylamino)phenyl]carbonylamino]benzoic acid

Systemtic Name: 3,5-bis[[3,5-bis(2-chloranylethanoylamino)phenyl]carbonylamino]benzoic acid Openeye Name: 3,5-bis[[3,5-bis[(2-chloroacetyl)amino]benzoyl]amino]benzoic acid CAS Name: 3,5-bis[[[3,5-bis[(2-chloro-1-oxoethyl)amino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3,5-bis[[3,5-bis[(2-chloroacetyl)amino]benzoyl]amino]benzoic acid Traditional Name: 3,5-bis[[3,5-bis[(2-chloroacetyl)amino]benzoyl]amino]benzoic acid Formula: C29H24Cl4N6O8 MolecularWeight: 726.34826

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1NC(=O)CCl)NC(=O)CCl)C(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)C3=CC(=CC(=C3)NC(=O)CCl)NC(=O)CCl

Isomeric SMILES

C1=C(C=C(C=C1NC(=O)CCl)NC(=O)CCl)C(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)C3=CC(=CC(=C3)NC(=O)CCl)NC(=O)CCl

InChI

InChI=1S/C29H24Cl4N6O8/c30-10-23(40)34-17-1-14(2-18(7-17)35-24(41)11-31)27(44)38-21-5-16(29(46)47)6-22(9-21)39-28(45)15-3-19(36-25(42)12-32)8-20(4-15)37-26(43)13-33/h1-9H,10-13H2,(H,34,40)(H,35,41)(H,36,42)(H,37,43)(H,38,44)(H,39,45)(H,46,47)