[1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 2-azanyl-5-bromanyl-benzoate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 2-azanyl-5-bromanyl-benzoate Openeye Name: [2-(benzylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-amino-5-bromo-benzoate CAS Name: 2-amino-5-bromobenzoic acid [1-oxo-1-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl] ester IUPAC Name: [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-amino-5-bromobenzoate Traditional Name: 2-amino-5-bromo-benzoic acid [2-(benzylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H18BrN3O4 MolecularWeight: 420.25722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)Br)N

Isomeric SMILES

CC(C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)Br)N

InChI

InChI=1S/C18H18BrN3O4/c1-11(26-17(24)14-9-13(19)7-8-15(14)20)16(23)22-18(25)21-10-12-5-3-2-4-6-12/h2-9,11H,10,20H2,1H3,(H2,21,22,23,25)