2-[2-[(2,4,6-trimethylphenyl)carbamoyl]pyrrolidin-1-yl]ethyl 4-nitrobenzoate

Systemtic Name: 2-[2-[(2,4,6-trimethylphenyl)carbamoyl]pyrrolidin-1-yl]ethyl 4-nitrobenzoate Openeye Name: 2-[2-[(2,4,6-trimethylphenyl)carbamoyl]pyrrolidin-1-yl]ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-[2-[oxo-(2,4,6-trimethylanilino)methyl]-1-pyrrolidinyl]ethyl ester IUPAC Name: 2-[2-[(2,4,6-trimethylphenyl)carbamoyl]pyrrolidin-1-yl]ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-[2-(mesitylcarbamoyl)pyrrolidino]ethyl ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C2CCCN2CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C2CCCN2CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C23H27N3O5/c1-15-13-16(2)21(17(3)14-15)24-22(27)20-5-4-10-25(20)11-12-31-23(28)18-6-8-19(9-7-18)26(29)30/h6-9,13-14,20H,4-5,10-12H2,1-3H3,(H,24,27)