tert-butyl N-[[(6E)-4-aminocarbonyl-5-oxidanylidene-6-(1H-pyridin-2-ylidene)cyclohexa-1,3-dien-1-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[(6E)-4-aminocarbonyl-5-oxidanylidene-6-(1H-pyridin-2-ylidene)cyclohexa-1,3-dien-1-yl]methyl]carbamate Openeye Name: tert-butyl N-[[(6E)-4-carbamoyl-5-oxo-6-(1H-pyridin-2-ylidene)cyclohexa-1,3-dien-1-yl]methyl]carbamate CAS Name: N-[[(6E)-4-carbamoyl-5-oxo-6-(1H-pyridin-2-ylidene)-1-cyclohexa-1,3-dienyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[(6E)-4-carbamoyl-5-oxo-6-(1H-pyridin-2-ylidene)cyclohexa-1,3-dien-1-yl]methyl]carbamate Traditional Name: N-[[(6E)-4-carbamoyl-5-keto-6-(1H-pyridin-2-ylidene)cyclohexa-1,3-dien-1-yl]methyl]carbamic acid tert-butyl ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C(=O)C1=C2C=CC=CN2)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)NCC\1=CC=C(C(=O)/C1=C/2\C=CC=CN2)C(=O)N

InChI

InChI=1S/C18H21N3O4/c1-18(2,3)25-17(24)21-10-11-7-8-12(16(19)23)15(22)14(11)13-6-4-5-9-20-13/h4-9,20H,10H2,1-3H3,(H2,19,23)(H,21,24)/b14-13+