[4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl] 3-methyl-4-nitro-benzoate Openeye Name: [4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [4-[[(2,5-dimethyl-1-pyrrolyl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl] ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O5/c1-13-12-17(8-11-19(13)24(27)28)21(26)29-18-9-6-16(7-10-18)20(25)22-23-14(2)4-5-15(23)3/h4-12H,1-3H3,(H,22,25)