[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-[[(1R)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-[[[[(2R)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-keto-2-[[(1R)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C14H18ClN3O4 MolecularWeight: 327.76342

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)Cl)N

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3O4/c1-3-8(2)17-14(21)18-12(19)7-22-13(20)9-4-5-10(15)11(16)6-9/h4-6,8H,3,7,16H2,1-2H3,(H2,17,18,19,21)/t8-/m1/s1