(4-aminocarbonyl-2-nitro-phenyl)methyl 4-pyrrol-1-ylbenzoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 4-pyrrol-1-ylbenzoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C19H15N3O5 MolecularWeight: 365.3395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC=C(C=C2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CN(C=C1)C2=CC=C(C=C2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O5/c20-18(23)14-3-4-15(17(11-14)22(25)26)12-27-19(24)13-5-7-16(8-6-13)21-9-1-2-10-21/h1-11H,12H2,(H2,20,23)