[4-[(E)-(thiophen-2-ylcarbonylhydrazinylidene)methyl]phenyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [4-[(E)-(thiophen-2-ylcarbonylhydrazinylidene)methyl]phenyl] 3-methyl-4-nitro-benzoate Openeye Name: [4-[(E)-(thiophene-2-carbonylhydrazono)methyl]phenyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [4-[(E)-[[oxo(thiophen-2-yl)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [4-[(E)-(2-thenoylhydrazono)methyl]phenyl] ester Formula: C20H15N3O5S MolecularWeight: 409.4152

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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=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O5S/c1-13-11-15(6-9-17(13)23(26)27)20(25)28-16-7-4-14(5-8-16)12-21-22-19(24)18-3-2-10-29-18/h2-12H,1H3,(H,22,24)/b21-12+