2-[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]oxy-5-nitro-benzaldehyde

Systemtic Name: 2-[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]oxy-5-nitro-benzaldehyde Openeye Name: 2-[(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethoxy]-5-nitro-benzaldehyde CAS Name: 2-[(2R)-1-(1-azepanyl)-1-oxopropan-2-yl]oxy-5-nitrobenzaldehyde IUPAC Name: 2-[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl]oxy-5-nitrobenzaldehyde Traditional Name: 2-[(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethoxy]-5-nitro-benzaldehyde Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC2=C(C=C(C=C2)[N+](=O)[O-])C=O

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)OC2=C(C=C(C=C2)[N+](=O)[O-])C=O

InChI

InChI=1S/C16H20N2O5/c1-12(16(20)17-8-4-2-3-5-9-17)23-15-7-6-14(18(21)22)10-13(15)11-19/h6-7,10-12H,2-5,8-9H2,1H3/t12-/m1/s1