ethyl 3-[(E)-N-acetyloxy-C-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbonimidoyl]-4-azanyl-benzoate

Systemtic Name: ethyl 3-[(E)-N-acetyloxy-C-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbonimidoyl]-4-azanyl-benzoate Openeye Name: ethyl 3-[(E)-N-acetoxy-C-[2-(tert-butoxycarbonylamino)ethyl]carbonimidoyl]-4-amino-benzoate CAS Name: 3-[(1E)-1-acetyloxyimino-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]-4-aminobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(E)-N-acetyloxy-C-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbonimidoyl]-4-aminobenzoate Traditional Name: 3-[(E)-N-acetoxy-C-[2-(tert-butoxycarbonylamino)ethyl]carbonimidoyl]-4-amino-benzoic acid ethyl ester Formula: C19H27N3O6 MolecularWeight: 393.43418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N)C(=NOC(=O)C)CCNC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N)/C(=N/OC(=O)C)/CCNC(=O)OC(C)(C)C

InChI

InChI=1S/C19H27N3O6/c1-6-26-17(24)13-7-8-15(20)14(11-13)16(22-28-12(2)23)9-10-21-18(25)27-19(3,4)5/h7-8,11H,6,9-10,20H2,1-5H3,(H,21,25)/b22-16+