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

Systemtic Name: 4-chloranyl-N-[3-(3-ethoxypropylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[3-(3-ethoxypropylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[3-[(3-ethoxypropylamino)-oxomethyl]-4-(1-pyrrolidinyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[3-(3-ethoxypropylcarbamoyl)-4-pyrrolidin-1-ylphenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[3-(3-ethoxypropylcarbamoyl)-4-pyrrolidino-phenyl]-3-nitro-benzamide Formula: C23H27ClN4O5 MolecularWeight: 474.93728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN4O5/c1-2-33-13-5-10-25-23(30)18-15-17(7-9-20(18)27-11-3-4-12-27)26-22(29)16-6-8-19(24)21(14-16)28(31)32/h6-9,14-15H,2-5,10-13H2,1H3,(H,25,30)(H,26,29)