2-[(Z)-N-(tert-butylamino)-C-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)carbonimidoyl]benzoic acid

Systemtic Name: 2-[(Z)-N-(tert-butylamino)-C-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)carbonimidoyl]benzoic acid Openeye Name: 2-[(Z)-N-(tert-butylamino)-C-(3-oxo-4H-1,4-benzoxazin-6-yl)carbonimidoyl]benzoic acid CAS Name: 2-[(Z)-(tert-butylhydrazinylidene)-(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzoic acid IUPAC Name: 2-[(Z)-N-(tert-butylamino)-C-(3-oxo-4H-1,4-benzoxazin-6-yl)carbonimidoyl]benzoic acid Traditional Name: 2-[(Z)-N-(tert-butylamino)-C-(3-keto-4H-1,4-benzoxazin-6-yl)carbonimidoyl]benzoic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NN=C(C1=CC2=C(C=C1)OCC(=O)N2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(C)(C)N/N=C(/C1=CC2=C(C=C1)OCC(=O)N2)\C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H21N3O4/c1-20(2,3)23-22-18(13-6-4-5-7-14(13)19(25)26)12-8-9-16-15(10-12)21-17(24)11-27-16/h4-10,23H,11H2,1-3H3,(H,21,24)(H,25,26)/b22-18-