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

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

Systemtic Name:3-(1H-imidazol-2-yl)-2-[(5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]propanoic acid
Openeye Name:3-(1H-imidazol-2-yl)-2-[(5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]propanoic acid
CAS Name:3-(1H-imidazol-2-yl)-2-[(5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]propanoic acid
IUPAC Name:3-(1H-imidazol-2-yl)-2-[(5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propanoic acid
Traditional Name:3-(1H-imidazol-2-yl)-2-[(6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]propionic acid
Formula: C13H12N4O5
MolecularWeight: 304.25818
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C13H12N4O5/c18-12-8(2-1-3-10(12)17(21)22)7-16-9(13(19)20)6-11-14-4-5-15-11/h1-5,7,9,16H,6H2,(H,14,15)(H,19,20)


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