methyl (2S)-2-azanyl-5-(4-nitrophenyl)pent-4-ynoate

Systemtic Name: methyl (2S)-2-azanyl-5-(4-nitrophenyl)pent-4-ynoate Openeye Name: methyl (2S)-2-amino-5-(4-nitrophenyl)pent-4-ynoate CAS Name: (2S)-2-amino-5-(4-nitrophenyl)-4-pentynoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-5-(4-nitrophenyl)pent-4-ynoate Traditional Name: (2S)-2-amino-5-(4-nitrophenyl)pent-4-ynoic acid methyl ester Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC#CC1=CC=C(C=C1)[N+](=O)[O-])N

Isomeric SMILES

COC(=O)[C@H](CC#CC1=CC=C(C=C1)[N+](=O)[O-])N

InChI

InChI=1S/C12H12N2O4/c1-18-12(15)11(13)4-2-3-9-5-7-10(8-6-9)14(16)17/h5-8,11H,4,13H2,1H3/t11-/m0/s1