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

Systemtic Name: 2-[(3,5-dimethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-[(3,5-dimethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-2-[(4-keto-3,5-dimethoxy-cyclohexa-2,5-dien-1-ylidene)methylamino]propionic acid Formula: C15H17N3O5 MolecularWeight: 319.31258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O5/c1-22-12-3-9(4-13(23-2)14(12)19)6-17-11(15(20)21)5-10-7-16-8-18-10/h3-4,6-8,11,17H,5H2,1-2H3,(H,16,18)(H,20,21)