(5S)-6-[(4-nitrophenyl)methoxy]-5-[(4-nitrophenyl)methoxycarbonylamino]-6-oxidanylidene-hexanoic acid

Systemtic Name: (5S)-6-[(4-nitrophenyl)methoxy]-5-[(4-nitrophenyl)methoxycarbonylamino]-6-oxidanylidene-hexanoic acid Openeye Name: (5S)-6-[(4-nitrophenyl)methoxy]-5-[(4-nitrophenyl)methoxycarbonylamino]-6-oxo-hexanoic acid CAS Name: (5S)-6-[(4-nitrophenyl)methoxy]-5-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-6-oxohexanoic acid IUPAC Name: (5S)-6-[(4-nitrophenyl)methoxy]-5-[(4-nitrophenyl)methoxycarbonylamino]-6-oxohexanoic acid Traditional Name: (5S)-6-keto-6-(4-nitrobenzyl)oxy-5-[(4-nitrobenzyl)oxycarbonylamino]hexanoic acid Formula: C21H21N3O10 MolecularWeight: 475.40554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C(CCCC(=O)O)NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)[C@H](CCCC(=O)O)NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O10/c25-19(26)3-1-2-18(20(27)33-12-14-4-8-16(9-5-14)23(29)30)22-21(28)34-13-15-6-10-17(11-7-15)24(31)32/h4-11,18H,1-3,12-13H2,(H,22,28)(H,25,26)/t18-/m0/s1