N-[4-[butyl(furan-2-ylmethyl)amino]-3-(propylcarbamoyl)phenyl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[4-[butyl(furan-2-ylmethyl)amino]-3-(propylcarbamoyl)phenyl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[4-[butyl(2-furylmethyl)amino]-3-(propylcarbamoyl)phenyl]-4-chloro-3-nitro-benzamide CAS Name: N-[4-[butyl(2-furanylmethyl)amino]-3-[oxo(propylamino)methyl]phenyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[4-[butyl(furan-2-ylmethyl)amino]-3-(propylcarbamoyl)phenyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[4-[butyl(2-furfuryl)amino]-3-(propylcarbamoyl)phenyl]-4-chloro-3-nitro-benzamide Formula: C26H29ClN4O5 MolecularWeight: 512.98526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CO1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)NCCC

Isomeric SMILES

CCCCN(CC1=CC=CO1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)NCCC

InChI

InChI=1S/C26H29ClN4O5/c1-3-5-13-30(17-20-7-6-14-36-20)23-11-9-19(16-21(23)26(33)28-12-4-2)29-25(32)18-8-10-22(27)24(15-18)31(34)35/h6-11,14-16H,3-5,12-13,17H2,1-2H3,(H,28,33)(H,29,32)