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

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-azanylbenzoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 4-aminobenzoate CAS Name: 4-aminobenzoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-aminobenzoate Traditional Name: 4-aminobenzoic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C13H17N3O4 MolecularWeight: 279.29178

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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)N

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)OC(=O)C1=CC=C(C=C1)N

InChI

InChI=1S/C13H17N3O4/c1-7(2)10(11(17)16-13(15)19)20-12(18)8-3-5-9(14)6-4-8/h3-7,10H,14H2,1-2H3,(H3,15,16,17,19)/t10-/m1/s1