2,5-bis[(3E)-3-(azanylmethylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]hexanedioic acid

Systemtic Name: 2,5-bis[(3E)-3-(azanylmethylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]hexanedioic acid Openeye Name: 2,5-bis[(3E)-3-(aminomethylene)-6-oxo-cyclohexa-1,4-dien-1-yl]hexanedioic acid CAS Name: 2,5-bis[(3E)-3-(aminomethylidene)-6-oxo-1-cyclohexa-1,4-dienyl]hexanedioic acid IUPAC Name: 2,5-bis[(3E)-3-(aminomethylidene)-6-oxocyclohexa-1,4-dien-1-yl]hexanedioic acid Traditional Name: 2,5-bis[(3E)-3-(aminomethylene)-6-keto-cyclohexa-1,4-dien-1-yl]adipic acid Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CC1=CN)C(CCC(C2=CC(=CN)C=CC2=O)C(=O)O)C(=O)O

Isomeric SMILES

C\1=CC(=O)C(=C/C1=C/N)C(C(=O)O)CCC(C(=O)O)C2=C/C(=C/N)/C=CC2=O

InChI

InChI=1S/C20H20N2O6/c21-9-11-1-5-17(23)15(7-11)13(19(25)26)3-4-14(20(27)28)16-8-12(10-22)2-6-18(16)24/h1-2,5-10,13-14H,3-4,21-22H2,(H,25,26)(H,27,28)/b11-9+,12-10+