3,4-bis[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]hexanedioic acid

Systemtic Name: 3,4-bis[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]hexanedioic acid Openeye Name: 3,4-bis[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]hexanedioic acid CAS Name: 3,4-bis[[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]hexanedioic acid IUPAC Name: 3,4-bis[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]hexanedioic acid Traditional Name: 3,4-bis[[(E)-(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]amino]adipic acid Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CNC(CC(=O)O)C(CC(=O)O)NC=C2C=CC=CC2=O)C(=O)C=C1

Isomeric SMILES

C1=C/C(=C\NC(C(N/C=C\2/C(=O)C=CC=C2)CC(=O)O)CC(=O)O)/C(=O)C=C1

InChI

InChI=1S/C20H20N2O6/c23-17-7-3-1-5-13(17)11-21-15(9-19(25)26)16(10-20(27)28)22-12-14-6-2-4-8-18(14)24/h1-8,11-12,15-16,21-22H,9-10H2,(H,25,26)(H,27,28)/b13-11+,14-12+