2-chloranyl-N-cyclohexyl-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzamide

Systemtic Name: 2-chloranyl-N-cyclohexyl-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzamide Openeye Name: 2-chloro-N-cyclohexyl-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzamide CAS Name: 2-chloro-N-cyclohexyl-5-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]benzamide IUPAC Name: 2-chloro-N-cyclohexyl-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzamide Traditional Name: 2-chloro-N-cyclohexyl-5-[[(E)-3-(3-nitrophenyl)acryloyl]amino]benzamide Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H22ClN3O4/c23-20-11-10-17(14-19(20)22(28)25-16-6-2-1-3-7-16)24-21(27)12-9-15-5-4-8-18(13-15)26(29)30/h4-5,8-14,16H,1-3,6-7H2,(H,24,27)(H,25,28)/b12-9+