4-chloranyl-N-[4-(dimethylamino)-3-(3-ethoxypropylcarbamoyl)phenyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[4-(dimethylamino)-3-(3-ethoxypropylcarbamoyl)phenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[4-(dimethylamino)-3-(3-ethoxypropylcarbamoyl)phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[4-(dimethylamino)-3-[(3-ethoxypropylamino)-oxomethyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[4-(dimethylamino)-3-(3-ethoxypropylcarbamoyl)phenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[4-(dimethylamino)-3-(3-ethoxypropylcarbamoyl)phenyl]-3-nitro-benzamide Formula: C21H25ClN4O5 MolecularWeight: 448.9

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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-])N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O5/c1-4-31-11-5-10-23-21(28)16-13-15(7-9-18(16)25(2)3)24-20(27)14-6-8-17(22)19(12-14)26(29)30/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,23,28)(H,24,27)