2-azanyl-3-[3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]propanoic acid Openeye Name: 2-amino-3-(3,6-dioxocyclohexa-1,4-dien-1-yl)propanoic acid CAS Name: 2-amino-3-(3,6-dioxo-1-cyclohexa-1,4-dienyl)propanoic acid IUPAC Name: 2-amino-3-(3,6-dioxocyclohexa-1,4-dien-1-yl)propanoic acid Traditional Name: 2-amino-3-(3,6-diketocyclohexa-1,4-dien-1-yl)propionic acid Formula: C9H9NO4 MolecularWeight: 195.17206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CC1=O)CC(C(=O)O)N

Isomeric SMILES

C1=CC(=O)C(=CC1=O)CC(C(=O)O)N

InChI

InChI=1S/C9H9NO4/c10-7(9(13)14)4-5-3-6(11)1-2-8(5)12/h1-3,7H,4,10H2,(H,13,14)