prop-2-enyl (2S)-4-(5-bromanyl-7-nitro-2,3-dihydroindol-1-yl)-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: prop-2-enyl (2S)-4-(5-bromanyl-7-nitro-2,3-dihydroindol-1-yl)-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: allyl (2S)-2-(benzyloxycarbonylamino)-4-(5-bromo-7-nitro-indolin-1-yl)-4-oxo-butanoate CAS Name: (2S)-4-(5-bromo-7-nitro-2,3-dihydroindol-1-yl)-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S)-4-(5-bromo-7-nitro-2,3-dihydroindol-1-yl)-4-oxo-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-4-(5-bromo-7-nitro-indolin-1-yl)-4-keto-butyric acid allyl ester Formula: C23H22BrN3O7 MolecularWeight: 532.34068

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C(CC(=O)N1CCC2=CC(=CC(=C21)[N+](=O)[O-])Br)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C=CCOC(=O)[C@H](CC(=O)N1CCC2=CC(=CC(=C21)[N+](=O)[O-])Br)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H22BrN3O7/c1-2-10-33-22(29)18(25-23(30)34-14-15-6-4-3-5-7-15)13-20(28)26-9-8-16-11-17(24)12-19(21(16)26)27(31)32/h2-7,11-12,18H,1,8-10,13-14H2,(H,25,30)/t18-/m0/s1