2-[[1,4-bis(chloranyl)isoquinolin-7-yl]carbonylamino]butanedioic acid

Systemtic Name: 2-[[1,4-bis(chloranyl)isoquinolin-7-yl]carbonylamino]butanedioic acid Openeye Name: 2-[(1,4-dichloroisoquinoline-7-carbonyl)amino]butanedioic acid CAS Name: 2-[[(1,4-dichloro-7-isoquinolinyl)-oxomethyl]amino]butanedioic acid IUPAC Name: 2-[(1,4-dichloroisoquinoline-7-carbonyl)amino]butanedioic acid Traditional Name: 2-[(1,4-dichloroisoquinoline-7-carbonyl)amino]succinic acid Formula: C14H10Cl2N2O5 MolecularWeight: 357.1456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)NC(CC(=O)O)C(=O)O)C(=NC=C2Cl)Cl

Isomeric SMILES

C1=CC2=C(C=C1C(=O)NC(CC(=O)O)C(=O)O)C(=NC=C2Cl)Cl

InChI

InChI=1S/C14H10Cl2N2O5/c15-9-5-17-12(16)8-3-6(1-2-7(8)9)13(21)18-10(14(22)23)4-11(19)20/h1-3,5,10H,4H2,(H,18,21)(H,19,20)(H,22,23)