(4E)-4-(4-tert-butylphenyl)-4-[(4-nitrophenyl)carbonylhydrazinylidene]butanoic acid

Systemtic Name: (4E)-4-(4-tert-butylphenyl)-4-[(4-nitrophenyl)carbonylhydrazinylidene]butanoic acid Openeye Name: (4E)-4-(4-tert-butylphenyl)-4-[(4-nitrobenzoyl)hydrazono]butanoic acid CAS Name: (4E)-4-(4-tert-butylphenyl)-4-[[(4-nitrophenyl)-oxomethyl]hydrazinylidene]butanoic acid IUPAC Name: (4E)-4-(4-tert-butylphenyl)-4-[(4-nitrobenzoyl)hydrazinylidene]butanoic acid Traditional Name: (4E)-4-(4-tert-butylphenyl)-4-[(4-nitrobenzoyl)hydrazono]butyric acid Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C(=N/NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])/CCC(=O)O

InChI

InChI=1S/C21H23N3O5/c1-21(2,3)16-8-4-14(5-9-16)18(12-13-19(25)26)22-23-20(27)15-6-10-17(11-7-15)24(28)29/h4-11H,12-13H2,1-3H3,(H,23,27)(H,25,26)/b22-18+