[4-[(Z)-[(2,5-dimethylfuran-3-yl)carbonylhydrazinylidene]methyl]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(Z)-[(2,5-dimethylfuran-3-yl)carbonylhydrazinylidene]methyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[(Z)-[(2,5-dimethylfuran-3-carbonyl)hydrazono]methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(Z)-[[(2,5-dimethyl-3-furanyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(Z)-[(2,5-dimethylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(Z)-[(2,5-dimethyl-3-furoyl)hydrazono]methyl]phenyl] ester Formula: C21H17N3O6 MolecularWeight: 407.37618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)N/N=C\C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O6/c1-13-10-19(14(2)29-13)20(25)23-22-12-15-6-8-18(9-7-15)30-21(26)16-4-3-5-17(11-16)24(27)28/h3-12H,1-2H3,(H,23,25)/b22-12-