[4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl] 2-(2-nitrophenoxy)ethanoate

Systemtic Name: [4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl] 2-(2-nitrophenoxy)ethanoate Openeye Name: [4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl] 2-(2-nitrophenoxy)acetate CAS Name: 2-(2-nitrophenoxy)acetic acid [4-[[(2,5-dimethyl-1-pyrrolyl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl] 2-(2-nitrophenoxy)acetate Traditional Name: 2-(2-nitrophenoxy)acetic acid [4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl] ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1NC(=O)C2=CC=C(C=C2)OC(=O)COC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(N1NC(=O)C2=CC=C(C=C2)OC(=O)COC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C21H19N3O6/c1-14-7-8-15(2)23(14)22-21(26)16-9-11-17(12-10-16)30-20(25)13-29-19-6-4-3-5-18(19)24(27)28/h3-12H,13H2,1-2H3,(H,22,26)