1-[(2E)-2-(3-carboxy-2-chloranyl-5-oxidanylidene-quinolin-8-ylidene)hydrazinyl]isoquinoline-6-carboxylate; iron

Systemtic Name: 1-[(2E)-2-(3-carboxy-2-chloranyl-5-oxidanylidene-quinolin-8-ylidene)hydrazinyl]isoquinoline-6-carboxylate; iron Openeye Name: 1-[(2E)-2-(3-carboxy-2-chloro-5-oxo-8-quinolylidene)hydrazino]isoquinoline-6-carboxylate; iron CAS Name: 1-[(2E)-2-(3-carboxy-2-chloro-5-oxo-8-quinolinylidene)hydrazinyl]-6-isoquinolinecarboxylate; iron IUPAC Name: 1-[(2E)-2-(3-carboxy-2-chloro-5-oxoquinolin-8-ylidene)hydrazinyl]isoquinoline-6-carboxylate; iron Traditional Name: 1-[(N'E)-N'-(3-carboxy-2-chloro-5-keto-8-quinolylidene)hydrazino]isoquinoline-6-carboxylate; iron Formula: C40H20Cl2FeN8O10-2 MolecularWeight: 899.3854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2NN=C3C=CC(=O)C4=CC(=C(N=C34)Cl)C(=O)O)C=C1C(=O)[O-].C1=CC2=C(C=CN=C2NN=C3C=CC(=O)C4=CC(=C(N=C34)Cl)C(=O)O)C=C1C(=O)[O-].[Fe]

Isomeric SMILES

C1=CC2=C(C=C1C(=O)[O-])C=CN=C2N/N=C\3/C4=NC(=C(C=C4C(=O)C=C3)C(=O)O)Cl.C1=CC2=C(C=C1C(=O)[O-])C=CN=C2N/N=C\3/C4=NC(=C(C=C4C(=O)C=C3)C(=O)O)Cl.[Fe]

InChI

InChI=1S/2C20H11ClN4O5.Fe/c2*21-17-13(20(29)30)8-12-15(26)4-3-14(16(12)23-17)24-25-18-11-2-1-10(19(27)28)7-9(11)5-6-22-18;/h2*1-8H,(H,22,25)(H,27,28)(H,29,30);/p-2/b2*24-14+;