ethyl 3-[[(E)-2-acetamido-3-(3-nitrophenyl)prop-2-enoyl]-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[[(E)-2-acetamido-3-(3-nitrophenyl)prop-2-enoyl]-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[[(E)-2-acetamido-3-(3-nitrophenyl)prop-2-enoyl]-benzyl-amino]propanoate CAS Name: 3-[[(E)-2-acetamido-3-(3-nitrophenyl)-1-oxoprop-2-enyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[(E)-2-acetamido-3-(3-nitrophenyl)prop-2-enoyl]-benzylamino]propanoate Traditional Name: 3-[[(E)-2-acetamido-3-(3-nitrophenyl)acryloyl]-benzyl-amino]propionic acid ethyl ester Formula: C23H25N3O6 MolecularWeight: 439.4611

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)C(=O)C(=CC2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)C(=O)/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C

InChI

InChI=1S/C23H25N3O6/c1-3-32-22(28)12-13-25(16-18-8-5-4-6-9-18)23(29)21(24-17(2)27)15-19-10-7-11-20(14-19)26(30)31/h4-11,14-15H,3,12-13,16H2,1-2H3,(H,24,27)/b21-15+