ethyl (Z)-2-[(2S)-1-nitropropan-2-yl]-3-[[(1R)-1-phenylethyl]amino]but-2-enoate

Systemtic Name: ethyl (Z)-2-[(2S)-1-nitropropan-2-yl]-3-[[(1R)-1-phenylethyl]amino]but-2-enoate Openeye Name: ethyl (Z)-2-[(1S)-1-methyl-2-nitro-ethyl]-3-[[(1R)-1-phenylethyl]amino]but-2-enoate CAS Name: (Z)-2-[(2S)-1-nitropropan-2-yl]-3-[[(1R)-1-phenylethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-[(2S)-1-nitropropan-2-yl]-3-[[(1R)-1-phenylethyl]amino]but-2-enoate Traditional Name: (Z)-2-[(1S)-1-methyl-2-nitro-ethyl]-3-[[(1R)-1-phenylethyl]amino]but-2-enoic acid ethyl ester Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4/c1-5-23-17(20)16(12(2)11-19(21)22)14(4)18-13(3)15-9-7-6-8-10-15/h6-10,12-13,18H,5,11H2,1-4H3/b16-14-/t12-,13-/m1/s1