[4-[(E)-[(2-methylfuran-3-yl)carbonylhydrazinylidene]methyl]phenyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [4-[(E)-[(2-methylfuran-3-yl)carbonylhydrazinylidene]methyl]phenyl] 3-methyl-4-nitro-benzoate Openeye Name: [4-[(E)-[(2-methylfuran-3-carbonyl)hydrazono]methyl]phenyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [4-[(E)-[[(2-methyl-3-furanyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [4-[(E)-[(2-methyl-3-furoyl)hydrazono]methyl]phenyl] ester Formula: C21H17N3O6 MolecularWeight: 407.37618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=C(OC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=C(OC=C3)C)[N+](=O)[O-]

InChI

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