4-[(E)-[2-[(4-tert-butylphenyl)carbonylamino]ethanoylhydrazinylidene]methyl]benzoic acid

Systemtic Name: 4-[(E)-[2-[(4-tert-butylphenyl)carbonylamino]ethanoylhydrazinylidene]methyl]benzoic acid Openeye Name: 4-[(E)-[[2-[(4-tert-butylbenzoyl)amino]acetyl]hydrazono]methyl]benzoic acid CAS Name: 4-[(E)-[[2-[[(4-tert-butylphenyl)-oxomethyl]amino]-1-oxoethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[[2-[(4-tert-butylbenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid Traditional Name: 4-[(E)-[[2-[(4-tert-butylbenzoyl)amino]acetyl]hydrazono]methyl]benzoic acid Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)NN=CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C21H23N3O4/c1-21(2,3)17-10-8-15(9-11-17)19(26)22-13-18(25)24-23-12-14-4-6-16(7-5-14)20(27)28/h4-12H,13H2,1-3H3,(H,22,26)(H,24,25)(H,27,28)/b23-12+