N-[4-[(2-butyl-5-nitro-1-benzofuran-3-yl)carbonyl]phenyl]-3-chloranyl-propanamide

Systemtic Name: N-[4-[(2-butyl-5-nitro-1-benzofuran-3-yl)carbonyl]phenyl]-3-chloranyl-propanamide Openeye Name: N-[4-(2-butyl-5-nitro-benzofuran-3-carbonyl)phenyl]-3-chloro-propanamide CAS Name: N-[4-[(2-butyl-5-nitro-3-benzofuranyl)-oxomethyl]phenyl]-3-chloropropanamide IUPAC Name: N-[4-(2-butyl-5-nitro-1-benzofuran-3-carbonyl)phenyl]-3-chloropropanamide Traditional Name: N-[4-(2-butyl-5-nitro-benzofuran-3-carbonyl)phenyl]-3-chloro-propionamide Formula: C22H21ClN2O5 MolecularWeight: 428.86554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)NC(=O)CCCl

Isomeric SMILES

CCCCC1=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)NC(=O)CCCl

InChI

InChI=1S/C22H21ClN2O5/c1-2-3-4-19-21(17-13-16(25(28)29)9-10-18(17)30-19)22(27)14-5-7-15(8-6-14)24-20(26)11-12-23/h5-10,13H,2-4,11-12H2,1H3,(H,24,26)