2-chloroethyl 4-azanyl-3-bromanyl-5-(diethylaminomethyl)benzoate

Systemtic Name: 2-chloroethyl 4-azanyl-3-bromanyl-5-(diethylaminomethyl)benzoate Openeye Name: 2-chloroethyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate CAS Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid 2-chloroethyl ester IUPAC Name: 2-chloroethyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate Traditional Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid 2-chloroethyl ester Formula: C14H20BrClN2O2 MolecularWeight: 363.6778

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C(=CC(=C1)C(=O)OCCCl)Br)N

Isomeric SMILES

CCN(CC)CC1=C(C(=CC(=C1)C(=O)OCCCl)Br)N

InChI

InChI=1S/C14H20BrClN2O2/c1-3-18(4-2)9-11-7-10(8-12(15)13(11)17)14(19)20-6-5-16/h7-8H,3-6,9,17H2,1-2H3