(E)-N-(4-butylphenyl)-2-cyano-3-[4-(methylamino)-3-nitro-phenyl]prop-2-enamide

Systemtic Name: (E)-N-(4-butylphenyl)-2-cyano-3-[4-(methylamino)-3-nitro-phenyl]prop-2-enamide Openeye Name: (E)-N-(4-butylphenyl)-2-cyano-3-[4-(methylamino)-3-nitro-phenyl]prop-2-enamide CAS Name: (E)-N-(4-butylphenyl)-2-cyano-3-[4-(methylamino)-3-nitrophenyl]-2-propenamide IUPAC Name: (E)-N-(4-butylphenyl)-2-cyano-3-[4-(methylamino)-3-nitrophenyl]prop-2-enamide Traditional Name: (E)-N-(4-butylphenyl)-2-cyano-3-[4-(methylamino)-3-nitro-phenyl]acrylamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)NC)[N+](=O)[O-])C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)NC)[N+](=O)[O-])/C#N

InChI

InChI=1S/C21H22N4O3/c1-3-4-5-15-6-9-18(10-7-15)24-21(26)17(14-22)12-16-8-11-19(23-2)20(13-16)25(27)28/h6-13,23H,3-5H2,1-2H3,(H,24,26)/b17-12+