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

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[(5-methoxy-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-2-[(5-methoxy-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[(5-methoxy-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-[(5-methoxy-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-2-[(6-keto-5-methoxy-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]propionic acid Formula: C14H14N4O6 MolecularWeight: 334.28416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=CNC(CC2=CN=CN2)C(=O)O)C1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=CNC(CC2=CN=CN2)C(=O)O)C1=O)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O6/c1-24-12-4-10(18(22)23)2-8(13(12)19)5-16-11(14(20)21)3-9-6-15-7-17-9/h2,4-7,11,16H,3H2,1H3,(H,15,17)(H,20,21)