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

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 3-methyl-2-nitro-benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C18H13N3O4 MolecularWeight: 335.31352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC2=CN3C=CC=CC3=C2C#N

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC2=CN3C=CC=CC3=C2C#N

InChI

InChI=1S/C18H13N3O4/c1-12-5-4-6-14(17(12)21(23)24)18(22)25-11-13-10-20-8-3-2-7-16(20)15(13)9-19/h2-8,10H,11H2,1H3