[(E)-3-phenylprop-2-enyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [(E)-3-phenylprop-2-enyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [(E)-cinnamyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [(E)-3-phenylprop-2-enyl] ester IUPAC Name: [(E)-3-phenylprop-2-enyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [(E)-cinnamyl] ester Formula: C17H16N2O4 MolecularWeight: 312.31994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC=CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OC/C=C/C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O4/c1-18-15-10-9-14(12-16(15)19(21)22)17(20)23-11-5-8-13-6-3-2-4-7-13/h2-10,12,18H,11H2,1H3/b8-5+