(2S)-2-azanyl-5-[4-(carboxymethyloxy)-5,7-dinitro-2,3-dihydroindol-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[4-(carboxymethyloxy)-5,7-dinitro-2,3-dihydroindol-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[4-(carboxymethyloxy)-5,7-dinitro-indolin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[4-(carboxymethyloxy)-5,7-dinitro-2,3-dihydroindol-1-yl]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[4-(carboxymethyloxy)-5,7-dinitro-2,3-dihydroindol-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[4-(carboxymethyloxy)-5,7-dinitro-indolin-1-yl]-5-keto-valeric acid Formula: C15H16N4O10 MolecularWeight: 412.30834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])OCC(=O)O)C(=O)CCC(C(=O)O)N

Isomeric SMILES

C1CN(C2=C1C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])OCC(=O)O)C(=O)CC[C@@H](C(=O)O)N

InChI

InChI=1S/C15H16N4O10/c16-8(15(23)24)1-2-11(20)17-4-3-7-13(17)9(18(25)26)5-10(19(27)28)14(7)29-6-12(21)22/h5,8H,1-4,6,16H2,(H,21,22)(H,23,24)/t8-/m0/s1