(phenylmethyl) 2-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]ethanoate Openeye Name: benzyl 2-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]acetate CAS Name: 2-[[(E)-2-benzamido-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]acetate Traditional Name: 2-[[(E)-2-benzamido-3-(3-nitrophenyl)acryloyl]amino]acetic acid benzyl ester Formula: C25H21N3O6 MolecularWeight: 459.45074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CNC(=O)C(=CC2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CNC(=O)/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H21N3O6/c29-23(34-17-18-8-3-1-4-9-18)16-26-25(31)22(27-24(30)20-11-5-2-6-12-20)15-19-10-7-13-21(14-19)28(32)33/h1-15H,16-17H2,(H,26,31)(H,27,30)/b22-15+