(4-aminocarbonyl-2-nitro-phenyl)methyl 4-methyl-3-pyrrol-1-yl-benzoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 4-methyl-3-pyrrol-1-yl-benzoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 4-methyl-3-pyrrol-1-yl-benzoate CAS Name: 4-methyl-3-(1-pyrrolyl)benzoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 4-methyl-3-pyrrol-1-ylbenzoate Traditional Name: 4-methyl-3-pyrrol-1-yl-benzoic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C20H17N3O5 MolecularWeight: 379.36608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])N3C=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])N3C=CC=C3

InChI

InChI=1S/C20H17N3O5/c1-13-4-5-15(11-17(13)22-8-2-3-9-22)20(25)28-12-16-7-6-14(19(21)24)10-18(16)23(26)27/h2-11H,12H2,1H3,(H2,21,24)