2-[(E)-3-azanylprop-2-enyl]-3,6-bis(oxidanylidene)hexanoic acid

Systemtic Name: 2-[(E)-3-azanylprop-2-enyl]-3,6-bis(oxidanylidene)hexanoic acid Openeye Name: 2-[(E)-3-aminoallyl]-3,6-dioxo-hexanoic acid CAS Name: 2-[(E)-3-aminoprop-2-enyl]-3,6-dioxohexanoic acid IUPAC Name: 2-[(E)-3-aminoprop-2-enyl]-3,6-dioxohexanoic acid Traditional Name: (E)-5-amino-2-(4-ketobutanoyl)pent-4-enoic acid Formula: C9H13NO4 MolecularWeight: 199.20382

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)C(CC=CN)C(=O)O)C=O

Isomeric SMILES

C(CC(=O)C(C/C=C/N)C(=O)O)C=O

InChI

InChI=1S/C9H13NO4/c10-5-1-3-7(9(13)14)8(12)4-2-6-11/h1,5-7H,2-4,10H2,(H,13,14)/b5-1+