methyl 3-[[(2R)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl]amino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[(2R)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl]amino]-4-methyl-benzoate Openeye Name: methyl 4-methyl-3-[[(1R)-1-methyl-2-oxo-2-ureido-ethyl]amino]benzoate CAS Name: 3-[[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]amino]-4-methylbenzoate Traditional Name: 3-[[(1R)-2-keto-1-methyl-2-ureido-ethyl]amino]-4-methyl-benzoic acid methyl ester Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(C)C(=O)NC(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)N[C@H](C)C(=O)NC(=O)N

InChI

InChI=1S/C13H17N3O4/c1-7-4-5-9(12(18)20-3)6-10(7)15-8(2)11(17)16-13(14)19/h4-6,8,15H,1-3H3,(H3,14,16,17,19)/t8-/m1/s1