[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-cyanobenzoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-cyanobenzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC=C(C=C1)C#N

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC=C(C=C1)C#N

InChI

InChI=1S/C14H15N3O4/c1-8(2)11(12(18)17-14(16)20)21-13(19)10-5-3-9(7-15)4-6-10/h3-6,8,11H,1-2H3,(H3,16,17,18,20)