3-tert-butyl-5-nitro-4-phenylmethoxy-benzaldehyde

Systemtic Name: 3-tert-butyl-5-nitro-4-phenylmethoxy-benzaldehyde Openeye Name: 4-benzyloxy-3-tert-butyl-5-nitro-benzaldehyde CAS Name: 3-tert-butyl-5-nitro-4-phenylmethoxybenzaldehyde IUPAC Name: 3-tert-butyl-5-nitro-4-phenylmethoxybenzaldehyde Traditional Name: 4-benzoxy-3-tert-butyl-5-nitro-benzaldehyde Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=C1)C=O)[N+](=O)[O-])OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)C=O)[N+](=O)[O-])OCC2=CC=CC=C2

InChI

InChI=1S/C18H19NO4/c1-18(2,3)15-9-14(11-20)10-16(19(21)22)17(15)23-12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3