1-(3-nitrophenyl)ethanone; 4-propan-2-ylbenzaldehyde

Systemtic Name: 1-(3-nitrophenyl)ethanone; 4-propan-2-ylbenzaldehyde Openeye Name: 4-isopropylbenzaldehyde; 1-(3-nitrophenyl)ethanone CAS Name: 1-(3-nitrophenyl)ethanone; 4-propan-2-ylbenzaldehyde IUPAC Name: 1-(3-nitrophenyl)ethanone; 4-propan-2-ylbenzaldehyde Traditional Name: 4-isopropylbenzaldehyde; 1-(3-nitrophenyl)ethanone Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12O.C8H7NO3/c1-8(2)10-5-3-9(7-11)4-6-10;1-6(10)7-3-2-4-8(5-7)9(11)12/h3-8H,1-2H3;2-5H,1H3