ethyl 4-(2-azanylpropanoylamino)-3-bromanyl-benzoate

Systemtic Name: ethyl 4-(2-azanylpropanoylamino)-3-bromanyl-benzoate Openeye Name: ethyl 4-(2-aminopropanoylamino)-3-bromo-benzoate CAS Name: 4-[(2-amino-1-oxopropyl)amino]-3-bromobenzoic acid ethyl ester IUPAC Name: ethyl 4-(2-aminopropanoylamino)-3-bromobenzoate Traditional Name: 4-(alanylamino)-3-bromo-benzoic acid ethyl ester Formula: C12H15BrN2O3 MolecularWeight: 315.1631

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N)Br

InChI

InChI=1S/C12H15BrN2O3/c1-3-18-12(17)8-4-5-10(9(13)6-8)15-11(16)7(2)14/h4-7H,3,14H2,1-2H3,(H,15,16)