2-acetamidoethyl 3-bromanyl-4-methyl-5-nitro-benzoate

Systemtic Name: 2-acetamidoethyl 3-bromanyl-4-methyl-5-nitro-benzoate Openeye Name: 2-acetamidoethyl 3-bromo-4-methyl-5-nitro-benzoate CAS Name: 3-bromo-4-methyl-5-nitrobenzoic acid 2-acetamidoethyl ester IUPAC Name: 2-acetamidoethyl 3-bromo-4-methyl-5-nitrobenzoate Traditional Name: 3-bromo-4-methyl-5-nitro-benzoic acid 2-acetamidoethyl ester Formula: C12H13BrN2O5 MolecularWeight: 345.14602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1Br)C(=O)OCCNC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1Br)C(=O)OCCNC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H13BrN2O5/c1-7-10(13)5-9(6-11(7)15(18)19)12(17)20-4-3-14-8(2)16/h5-6H,3-4H2,1-2H3,(H,14,16)