4-chloranyl-N-[3-(2-methoxyethylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[3-(2-methoxyethylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[3-(2-methoxyethylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[3-[(2-methoxyethylamino)-oxomethyl]-4-(1-pyrrolidinyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[3-(2-methoxyethylcarbamoyl)-4-pyrrolidin-1-ylphenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[3-(2-methoxyethylcarbamoyl)-4-pyrrolidino-phenyl]-3-nitro-benzamide Formula: C21H23ClN4O5 MolecularWeight: 446.88412

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

COCCNC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C21H23ClN4O5/c1-31-11-8-23-21(28)16-13-15(5-7-18(16)25-9-2-3-10-25)24-20(27)14-4-6-17(22)19(12-14)26(29)30/h4-7,12-13H,2-3,8-11H2,1H3,(H,23,28)(H,24,27)