5-[[4-[(Z)-N-[[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]-C-methyl-carbonimidoyl]phenoxy]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-[(Z)-N-[[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]-C-methyl-carbonimidoyl]phenoxy]methyl]furan-2-carboxylic acid Openeye Name: 5-[[4-[(Z)-N-[[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]amino]-C-methyl-carbonimidoyl]phenoxy]methyl]furan-2-carboxylic acid CAS Name: 5-[[4-[(1Z)-1-[[[3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]-oxomethyl]hydrazinylidene]ethyl]phenoxy]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-[(Z)-N-[[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]amino]-C-methylcarbonimidoyl]phenoxy]methyl]furan-2-carboxylic acid Traditional Name: 5-[[4-[(Z)-N-[[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]amino]-C-methyl-carbonimidoyl]phenoxy]methyl]-2-furoic acid Formula: C27H25N5O7 MolecularWeight: 531.5167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NN=C(C)C3=CC=C(C=C3)OCC4=CC=C(O4)C(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)N/N=C(/C)\C3=CC=C(C=C3)OCC4=CC=C(O4)C(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C27H25N5O7/c1-16(20-7-9-22(10-8-20)38-15-23-11-12-24(39-23)27(34)35)28-29-26(33)21-6-4-5-19(13-21)14-31-18(3)25(32(36)37)17(2)30-31/h4-13H,14-15H2,1-3H3,(H,29,33)(H,34,35)/b28-16-