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

Systemtic Name: 3-tert-butyl-4-methoxy-5-nitro-benzaldehyde Openeye Name: 3-tert-butyl-4-methoxy-5-nitro-benzaldehyde CAS Name: 3-tert-butyl-4-methoxy-5-nitrobenzaldehyde IUPAC Name: 3-tert-butyl-4-methoxy-5-nitrobenzaldehyde Traditional Name: 3-tert-butyl-4-methoxy-5-nitro-benzaldehyde Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4/c1-12(2,3)9-5-8(7-14)6-10(13(15)16)11(9)17-4/h5-7H,1-4H3