4-[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzaldehyde

Systemtic Name: 4-[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzaldehyde Openeye Name: 4-[(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethoxy]-3-nitro-benzaldehyde CAS Name: 4-[(2R)-1-(1-azepanyl)-1-oxopropan-2-yl]oxy-3-nitrobenzaldehyde IUPAC Name: 4-[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl]oxy-3-nitrobenzaldehyde Traditional Name: 4-[(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethoxy]-3-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)C=O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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