2-(5-methyl-2-nitro-phenyl)ethanal

Systemtic Name: 2-(5-methyl-2-nitro-phenyl)ethanal Openeye Name: 2-(5-methyl-2-nitro-phenyl)acetaldehyde CAS Name: 2-(5-methyl-2-nitrophenyl)acetaldehyde IUPAC Name: 2-(5-methyl-2-nitrophenyl)acetaldehyde Traditional Name: 2-(5-methyl-2-nitro-phenyl)acetaldehyde Formula: C9H9NO3 MolecularWeight: 179.17266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])CC=O

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])CC=O

InChI

InChI=1S/C9H9NO3/c1-7-2-3-9(10(12)13)8(6-7)4-5-11/h2-3,5-6H,4H2,1H3