[(2S)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)ethanoate

Systemtic Name: [(2S)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)ethanoate Openeye Name: [(1S)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-indan-5-yloxyacetate CAS Name: 2-(2,3-dihydro-1H-inden-5-yloxy)acetic acid [(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate Traditional Name: 2-indan-5-yloxyacetic acid [(1S)-2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)COC2=CC3=C(CCC3)C=C2

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)COC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C21H22N2O7/c1-13(21(25)22-18-11-16(23(26)27)7-9-19(18)28-2)30-20(24)12-29-17-8-6-14-4-3-5-15(14)10-17/h6-11,13H,3-5,12H2,1-2H3,(H,22,25)/t13-/m0/s1