N-(4-chloranyl-3-nitro-phenyl)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-3-(4-isopentyloxy-3-methoxy-phenyl)prop-2-enamide CAS Name: N-(4-chloro-3-nitrophenyl)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-propenamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-3-(4-isoamoxy-3-methoxy-phenyl)acrylamide Formula: C21H23ClN2O5 MolecularWeight: 418.87072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C=CC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C=CC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C21H23ClN2O5/c1-14(2)10-11-29-19-8-4-15(12-20(19)28-3)5-9-21(25)23-16-6-7-17(22)18(13-16)24(26)27/h4-9,12-14H,10-11H2,1-3H3,(H,23,25)