methyl (2S)-2-[(2-nitro-6-oxidanyl-phenyl)methylamino]pent-4-enoate

Systemtic Name: methyl (2S)-2-[(2-nitro-6-oxidanyl-phenyl)methylamino]pent-4-enoate Openeye Name: methyl (2S)-2-[(2-hydroxy-6-nitro-phenyl)methylamino]pent-4-enoate CAS Name: (2S)-2-[(2-hydroxy-6-nitrophenyl)methylamino]-4-pentenoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-hydroxy-6-nitrophenyl)methylamino]pent-4-enoate Traditional Name: (2S)-2-[(2-hydroxy-6-nitro-benzyl)amino]pent-4-enoic acid methyl ester Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC=C)NCC1=C(C=CC=C1O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H](CC=C)NCC1=C(C=CC=C1O)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5/c1-3-5-10(13(17)20-2)14-8-9-11(15(18)19)6-4-7-12(9)16/h3-4,6-7,10,14,16H,1,5,8H2,2H3/t10-/m0/s1