ethyl (2S)-2-[C-methyl-N-[(2R)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]carbonimidoyl]pent-4-enoate

Systemtic Name: ethyl (2S)-2-[C-methyl-N-[(2R)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]carbonimidoyl]pent-4-enoate Openeye Name: ethyl (2S)-2-[N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-C-methyl-carbonimidoyl]pent-4-enoate CAS Name: (2S)-2-[1-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]iminoethyl]-4-pentenoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-C-methylcarbonimidoyl]pent-4-enoate Traditional Name: (2S)-2-[N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-C-methyl-carbonimidoyl]pent-4-enoic acid ethyl ester Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O5/c1-4-6-15(17(21)24-5-2)12(3)18-11-16(20)13-7-9-14(10-8-13)19(22)23/h4,7-10,15-16,20H,1,5-6,11H2,2-3H3/t15-,16-/m0/s1