N-butan-2-yl-2-[[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]amino]benzamide

Systemtic Name: N-butan-2-yl-2-[[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]amino]benzamide Openeye Name: 2-[[(E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoyl]amino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-[[(E)-3-(4-chloro-3-nitrophenyl)-1-oxoprop-2-enyl]amino]benzamide IUPAC Name: N-butan-2-yl-2-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]benzamide Traditional Name: 2-[[(E)-3-(4-chloro-3-nitro-phenyl)acryloyl]amino]-N-sec-butyl-benzamide Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN3O4/c1-3-13(2)22-20(26)15-6-4-5-7-17(15)23-19(25)11-9-14-8-10-16(21)18(12-14)24(27)28/h4-13H,3H2,1-2H3,(H,22,26)(H,23,25)/b11-9+