methyl (2S)-2-azanyl-5-[(2,3-dinitrophenyl)amino]pentanoate

Systemtic Name: methyl (2S)-2-azanyl-5-[(2,3-dinitrophenyl)amino]pentanoate Openeye Name: methyl (2S)-2-amino-5-(2,3-dinitroanilino)pentanoate CAS Name: (2S)-2-amino-5-(2,3-dinitroanilino)pentanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-5-(2,3-dinitroanilino)pentanoate Traditional Name: (2S)-2-amino-5-(2,3-dinitroanilino)valeric acid methyl ester Formula: C12H16N4O6 MolecularWeight: 312.27864

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCNC1=C(C(=CC=C1)[N+](=O)[O-])[N+](=O)[O-])N

Isomeric SMILES

COC(=O)[C@H](CCCNC1=C(C(=CC=C1)[N+](=O)[O-])[N+](=O)[O-])N

InChI

InChI=1S/C12H16N4O6/c1-22-12(17)8(13)4-3-7-14-9-5-2-6-10(15(18)19)11(9)16(20)21/h2,5-6,8,14H,3-4,7,13H2,1H3/t8-/m0/s1