2-(1-bromanyl-5-nitro-4-sulfamoyl-naphthalen-2-yl)ethyl ethanoate

Systemtic Name: 2-(1-bromanyl-5-nitro-4-sulfamoyl-naphthalen-2-yl)ethyl ethanoate Openeye Name: 2-(1-bromo-5-nitro-4-sulfamoyl-2-naphthyl)ethyl acetate CAS Name: acetic acid 2-(1-bromo-5-nitro-4-sulfamoyl-2-naphthalenyl)ethyl ester IUPAC Name: 2-(1-bromo-5-nitro-4-sulfamoylnaphthalen-2-yl)ethyl acetate Traditional Name: acetic acid 2-(1-bromo-5-nitro-4-sulfamoyl-2-naphthyl)ethyl ester Formula: C14H13BrN2O6S MolecularWeight: 417.23182

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC1=CC(=C2C(=C1Br)C=CC=C2[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

CC(=O)OCCC1=CC(=C2C(=C1Br)C=CC=C2[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C14H13BrN2O6S/c1-8(18)23-6-5-9-7-12(24(16,21)22)13-10(14(9)15)3-2-4-11(13)17(19)20/h2-4,7H,5-6H2,1H3,(H2,16,21,22)