3-oxidanylidene-3-[[4-(5-oxidanylidene-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]amino]propanoic acid

Systemtic Name: 3-oxidanylidene-3-[[4-(5-oxidanylidene-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]amino]propanoic acid Openeye Name: 3-oxo-3-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)anilino]propanoic acid CAS Name: 3-oxo-3-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)anilino]propanoic acid IUPAC Name: 3-oxo-3-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)anilino]propanoic acid Traditional Name: 3-keto-3-[4-(5-keto-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)anilino]propionic acid Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C1C(=O)NN=C2C3=CC=C(C=C3)NC(=O)CC(=O)O

Isomeric SMILES

C1C2C1C(=O)NN=C2C3=CC=C(C=C3)NC(=O)CC(=O)O

InChI

InChI=1S/C14H13N3O4/c18-11(6-12(19)20)15-8-3-1-7(2-4-8)13-9-5-10(9)14(21)17-16-13/h1-4,9-10H,5-6H2,(H,15,18)(H,17,21)(H,19,20)