(4-aminocarbonyl-2-nitro-phenyl)methyl 4-cyanobenzoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 4-cyanobenzoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C16H11N3O5 MolecularWeight: 325.27564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O5/c17-8-10-1-3-11(4-2-10)16(21)24-9-13-6-5-12(15(18)20)7-14(13)19(22)23/h1-7H,9H2,(H2,18,20)