2-azanyl-4-[3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]pentanedioic acid

Systemtic Name: 2-azanyl-4-[3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]pentanedioic acid Openeye Name: 2-amino-4-[3-(2-amino-3-hydroxy-3-oxo-propyl)-6-oxo-cyclohexa-1,4-dien-1-yl]pentanedioic acid CAS Name: 2-amino-4-[3-(2-amino-3-hydroxy-3-oxopropyl)-6-oxo-1-cyclohexa-1,4-dienyl]pentanedioic acid IUPAC Name: 2-amino-4-[3-(2-amino-3-hydroxy-3-oxopropyl)-6-oxocyclohexa-1,4-dien-1-yl]pentanedioic acid Traditional Name: 2-amino-4-[3-(2-amino-3-hydroxy-3-keto-propyl)-6-keto-cyclohexa-1,4-dien-1-yl]glutaric acid Formula: C14H18N2O7 MolecularWeight: 326.30192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CC1CC(C(=O)O)N)C(CC(C(=O)O)N)C(=O)O

Isomeric SMILES

C1=CC(=O)C(=CC1CC(C(=O)O)N)C(CC(C(=O)O)N)C(=O)O

InChI

InChI=1S/C14H18N2O7/c15-9(13(20)21)4-6-1-2-11(17)7(3-6)8(12(18)19)5-10(16)14(22)23/h1-3,6,8-10H,4-5,15-16H2,(H,18,19)(H,20,21)(H,22,23)