(2R)-3-(1H-imidazol-5-yl)-2-[(3-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]propanoic acid

Systemtic Name: (2R)-3-(1H-imidazol-5-yl)-2-[(3-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]propanoic acid Openeye Name: (2R)-3-(1H-imidazol-5-yl)-2-[(3-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]propanoic acid CAS Name: (2R)-3-(1H-imidazol-5-yl)-2-[(3-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]propanoic acid IUPAC Name: (2R)-3-(1H-imidazol-5-yl)-2-[(3-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propanoic acid Traditional Name: (2R)-3-(1H-imidazol-5-yl)-2-[(6-keto-3-methoxy-cyclohexa-2,4-dien-1-ylidene)methylamino]propionic acid Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNC(CC2=CN=CN2)C(=O)O)C(=O)C=C1

Isomeric SMILES

COC1=CC(=CN[C@H](CC2=CN=CN2)C(=O)O)C(=O)C=C1

InChI

InChI=1S/C14H15N3O4/c1-21-11-2-3-13(18)9(4-11)6-16-12(14(19)20)5-10-7-15-8-17-10/h2-4,6-8,12,16H,5H2,1H3,(H,15,17)(H,19,20)/t12-/m1/s1