(Z)-2-acetamido-N-[4-methyl-3-(propanoylamino)phenyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (Z)-2-acetamido-N-[4-methyl-3-(propanoylamino)phenyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (Z)-2-acetamido-N-[4-methyl-3-(propanoylamino)phenyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (Z)-2-acetamido-N-[4-methyl-3-(1-oxopropylamino)phenyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (Z)-2-acetamido-N-[4-methyl-3-(propanoylamino)phenyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (Z)-2-acetamido-N-(4-methyl-3-propionamido-phenyl)-3-(3-nitrophenyl)acrylamide Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)NC(=O)C(=CC2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C)C

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)NC(=O)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C)C

InChI

InChI=1S/C21H22N4O5/c1-4-20(27)24-18-12-16(9-8-13(18)2)23-21(28)19(22-14(3)26)11-15-6-5-7-17(10-15)25(29)30/h5-12H,4H2,1-3H3,(H,22,26)(H,23,28)(H,24,27)/b19-11-