(1-cyanoindolizin-2-yl)methyl 2-(methylamino)-5-nitro-benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-(methylamino)-5-nitro-benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C18H14N4O4 MolecularWeight: 350.32816

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CN3C=CC=CC3=C2C#N

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CN3C=CC=CC3=C2C#N

InChI

InChI=1S/C18H14N4O4/c1-20-16-6-5-13(22(24)25)8-14(16)18(23)26-11-12-10-21-7-3-2-4-17(21)15(12)9-19/h2-8,10,20H,11H2,1H3