(2S)-2-azanyl-3-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]propanoate

Systemtic Name: (2S)-2-azanyl-3-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]propanoate Openeye Name: (2S)-2-amino-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)propanoate CAS Name: (2S)-2-amino-3-(3,4-dioxo-1-cyclohexa-1,5-dienyl)propanoate IUPAC Name: (2S)-2-amino-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)propanoate Traditional Name: (2S)-2-amino-3-(3,4-diketocyclohexa-1,5-dien-1-yl)propionate Formula: C9H8NO4- MolecularWeight: 194.16412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=O)C=C1CC(C(=O)[O-])N

Isomeric SMILES

C1=CC(=O)C(=O)C=C1C[C@@H](C(=O)[O-])N

InChI

InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6H,3,10H2,(H,13,14)/p-1/t6-/m0/s1