(1-cyanoindolizin-2-yl)methyl 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-[(2-chloro-4-nitro-benzoyl)amino]benzoate CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]benzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-[(2-chloro-4-nitrobenzoyl)amino]benzoate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C24H15ClN4O5 MolecularWeight: 474.8527

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CN3C=CC=CC3=C2C#N)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CN3C=CC=CC3=C2C#N)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C24H15ClN4O5/c25-20-11-16(29(32)33)8-9-17(20)23(30)27-21-6-2-1-5-18(21)24(31)34-14-15-13-28-10-4-3-7-22(28)19(15)12-26/h1-11,13H,14H2,(H,27,30)