1-(4-nitrophenyl)-3-[(phenylmethyl)amino]prop-2-en-1-one

Systemtic Name: 1-(4-nitrophenyl)-3-[(phenylmethyl)amino]prop-2-en-1-one Openeye Name: 3-(benzylamino)-1-(4-nitrophenyl)prop-2-en-1-one CAS Name: 1-(4-nitrophenyl)-3-[(phenylmethyl)amino]-2-propen-1-one IUPAC Name: 3-(benzylamino)-1-(4-nitrophenyl)prop-2-en-1-one Traditional Name: 3-(benzylamino)-1-(4-nitrophenyl)prop-2-en-1-one Formula: C16H14N2O3 MolecularWeight: 282.29396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC=CC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC=CC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O3/c19-16(14-6-8-15(9-7-14)18(20)21)10-11-17-12-13-4-2-1-3-5-13/h1-11,17H,12H2