ethyl 5-azanyl-6-bromanyl-1,3-benzodioxole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-6-bromanyl-1,3-benzodioxole-4-carboxylate Openeye Name: ethyl 5-amino-6-bromo-1,3-benzodioxole-4-carboxylate CAS Name: 5-amino-6-bromo-1,3-benzodioxole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-6-bromo-1,3-benzodioxole-4-carboxylate Traditional Name: 5-amino-6-bromo-1,3-benzodioxole-4-carboxylic acid ethyl ester Formula: C10H10BrNO4 MolecularWeight: 288.0947

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=CC(=C1N)Br)OCO2

Isomeric SMILES

CCOC(=O)C1=C2C(=CC(=C1N)Br)OCO2

InChI

InChI=1S/C10H10BrNO4/c1-2-14-10(13)7-8(12)5(11)3-6-9(7)16-4-15-6/h3H,2,4,12H2,1H3