ethyl (2Z,3S)-4-nitro-3-phenyl-2-[phenyl-[[(1R)-1-phenylethyl]amino]methylidene]butanoate

Systemtic Name: ethyl (2Z,3S)-4-nitro-3-phenyl-2-[phenyl-[[(1R)-1-phenylethyl]amino]methylidene]butanoate Openeye Name: ethyl (2Z,3S)-4-nitro-3-phenyl-2-[phenyl-[[(1R)-1-phenylethyl]amino]methylene]butanoate CAS Name: (2Z,3S)-4-nitro-3-phenyl-2-[phenyl-[[(1R)-1-phenylethyl]amino]methylidene]butanoic acid ethyl ester IUPAC Name: ethyl (2Z,3S)-4-nitro-3-phenyl-2-[phenyl-[[(1R)-1-phenylethyl]amino]methylidene]butanoate Traditional Name: (Z)-2-[(1S)-2-nitro-1-phenyl-ethyl]-3-phenyl-3-[[(1R)-1-phenylethyl]amino]acrylic acid ethyl ester Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O4/c1-3-33-27(30)25(24(19-29(31)32)22-15-9-5-10-16-22)26(23-17-11-6-12-18-23)28-20(2)21-13-7-4-8-14-21/h4-18,20,24,28H,3,19H2,1-2H3/b26-25-/t20-,24+/m1/s1