3-[3-bromanyl-4-(2,4-dinitrophenoxy)phenyl]-2-cyano-N-(3-methylphenyl)prop-2-enamide

Systemtic Name: 3-[3-bromanyl-4-(2,4-dinitrophenoxy)phenyl]-2-cyano-N-(3-methylphenyl)prop-2-enamide Openeye Name: 3-[3-bromo-4-(2,4-dinitrophenoxy)phenyl]-2-cyano-N-(m-tolyl)prop-2-enamide CAS Name: 3-[3-bromo-4-(2,4-dinitrophenoxy)phenyl]-2-cyano-N-(3-methylphenyl)-2-propenamide IUPAC Name: 3-[3-bromo-4-(2,4-dinitrophenoxy)phenyl]-2-cyano-N-(3-methylphenyl)prop-2-enamide Traditional Name: 3-[3-bromo-4-(2,4-dinitrophenoxy)phenyl]-2-cyano-N-(m-tolyl)acrylamide Formula: C23H15BrN4O6 MolecularWeight: 523.2924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(=CC2=CC(=C(C=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])Br)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(=CC2=CC(=C(C=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])Br)C#N

InChI

InChI=1S/C23H15BrN4O6/c1-14-3-2-4-17(9-14)26-23(29)16(13-25)10-15-5-7-21(19(24)11-15)34-22-8-6-18(27(30)31)12-20(22)28(32)33/h2-12H,1H3,(H,26,29)