(1-cyanoindolizin-2-yl)methyl 4-bromanyl-3-nitro-benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 4-bromanyl-3-nitro-benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C17H10BrN3O4 MolecularWeight: 400.183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CN2C=C1)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC2=C(C(=CN2C=C1)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H10BrN3O4/c18-14-5-4-11(7-16(14)21(23)24)17(22)25-10-12-9-20-6-2-1-3-15(20)13(12)8-19/h1-7,9H,10H2