[4-[(4-tert-butylphenyl)carbonylamino]phenyl] 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate

Systemtic Name: [4-[(4-tert-butylphenyl)carbonylamino]phenyl] 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate Openeye Name: [4-[(4-tert-butylbenzoyl)amino]phenyl] 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate CAS Name: 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid [4-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(4-tert-butylbenzoyl)amino]phenyl] 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate Traditional Name: 3-(4-keto-1,2,3-benzotriazin-3-yl)propionic acid [4-[(4-tert-butylbenzoyl)amino]phenyl] ester Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)OC(=O)CCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)OC(=O)CCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C27H26N4O4/c1-27(2,3)19-10-8-18(9-11-19)25(33)28-20-12-14-21(15-13-20)35-24(32)16-17-31-26(34)22-6-4-5-7-23(22)29-30-31/h4-15H,16-17H2,1-3H3,(H,28,33)