[2-[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxidanylidene-ethanehydrazonoyl]phenyl] 3-methylbenzoate

Systemtic Name: [2-[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxidanylidene-ethanehydrazonoyl]phenyl] 3-methylbenzoate Openeye Name: [2-[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-ethanehydrazonoyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-[(1E)-2-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-1-hydrazinylidene-2-oxoethyl]phenyl] ester IUPAC Name: [2-[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethanehydrazonoyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-[2-keto-2-[4-(pivaloylamino)phenyl]acetohydrazonoyl]phenyl] ester Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=CC=CC=C2C(=NN)C(=O)C3=CC=C(C=C3)NC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=CC=CC=C2/C(=N\N)/C(=O)C3=CC=C(C=C3)NC(=O)C(C)(C)C

InChI

InChI=1S/C27H27N3O4/c1-17-8-7-9-19(16-17)25(32)34-22-11-6-5-10-21(22)23(30-28)24(31)18-12-14-20(15-13-18)29-26(33)27(2,3)4/h5-16H,28H2,1-4H3,(H,29,33)/b30-23+