[(2S,5S)-1-methyl-8-nitro-3-oxidanylidene-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-5-yl]methyl ethanoate

Systemtic Name: [(2S,5S)-1-methyl-8-nitro-3-oxidanylidene-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-5-yl]methyl ethanoate Openeye Name: [(2S,5S)-2-isopropyl-1-methyl-8-nitro-3-oxo-2,4,5,6-tetrahydro-1,4-benzodiazocin-5-yl]methyl acetate CAS Name: acetic acid [(2S,5S)-1-methyl-8-nitro-3-oxo-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-5-yl]methyl ester IUPAC Name: [(2S,5S)-1-methyl-8-nitro-3-oxo-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-5-yl]methyl acetate Traditional Name: acetic acid [(2S,5S)-2-isopropyl-3-keto-1-methyl-8-nitro-2,4,5,6-tetrahydro-1,4-benzodiazocin-5-yl]methyl ester Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NC(CC2=C(N1C)C=CC(=C2)[N+](=O)[O-])COC(=O)C

Isomeric SMILES

CC(C)[C@H]1C(=O)N[C@@H](CC2=C(N1C)C=CC(=C2)[N+](=O)[O-])COC(=O)C

InChI

InChI=1S/C17H23N3O5/c1-10(2)16-17(22)18-13(9-25-11(3)21)7-12-8-14(20(23)24)5-6-15(12)19(16)4/h5-6,8,10,13,16H,7,9H2,1-4H3,(H,18,22)/t13-,16-/m0/s1