(E)-N-methyl-N-[(3-nitrophenyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-methyl-N-[(3-nitrophenyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-methyl-N-[(3-nitrophenyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-methyl-N-[(3-nitrophenyl)methyl]-3-(1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-methyl-N-[(3-nitrophenyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-methyl-N-(3-nitrobenzyl)-3-(1-phenylpyrazol-4-yl)acrylamide Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)C=CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H18N4O3/c1-22(14-16-6-5-9-19(12-16)24(26)27)20(25)11-10-17-13-21-23(15-17)18-7-3-2-4-8-18/h2-13,15H,14H2,1H3/b11-10+