ethyl (2S)-2-[[(E)-2-nitro-5-phenyl-2-[(E)-3-phenylprop-2-enyl]pent-4-enoyl]amino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[[(E)-2-nitro-5-phenyl-2-[(E)-3-phenylprop-2-enyl]pent-4-enoyl]amino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[[(E)-2-[(E)-cinnamyl]-2-nitro-5-phenyl-pent-4-enoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(E)-2-nitro-1-oxo-5-phenyl-2-[(E)-3-phenylprop-2-enyl]pent-4-enyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(E)-2-nitro-5-phenyl-2-[(E)-3-phenylprop-2-enyl]pent-4-enoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(E)-2-[(E)-cinnamyl]-2-nitro-5-phenyl-pent-4-enoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C31H32N2O5 MolecularWeight: 512.59618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC=CC2=CC=CC=C2)(CC=CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@@H](NC(=O)C([N+](=O)[O-])(C/C=C/C1=CC=CC=C1)C/C=C/C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C31H32N2O5/c1-2-38-29(34)28(24-27-18-10-5-11-19-27)32-30(35)31(33(36)37,22-12-20-25-14-6-3-7-15-25)23-13-21-26-16-8-4-9-17-26/h3-21,28H,2,22-24H2,1H3,(H,32,35)/b20-12+,21-13+/t28-/m0/s1