(1-cyanoindolizin-2-yl)methyl 3-nitrobenzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 3-nitrobenzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C17H11N3O4 MolecularWeight: 321.28694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11N3O4/c18-9-15-13(10-19-7-2-1-6-16(15)19)11-24-17(21)12-4-3-5-14(8-12)20(22)23/h1-8,10H,11H2