5-chloranyl-2-nitro-3-(2-oxidanylidenepropyl)-4,6-dipropyl-benzenecarbonitrile

Systemtic Name: 5-chloranyl-2-nitro-3-(2-oxidanylidenepropyl)-4,6-dipropyl-benzenecarbonitrile Openeye Name: 3-acetonyl-5-chloro-2-nitro-4,6-dipropyl-benzonitrile CAS Name: 5-chloro-2-nitro-3-(2-oxopropyl)-4,6-dipropylbenzonitrile IUPAC Name: 5-chloro-2-nitro-3-(2-oxopropyl)-4,6-dipropylbenzonitrile Traditional Name: 3-acetonyl-5-chloro-2-nitro-4,6-dipropyl-benzonitrile Formula: C16H19ClN2O3 MolecularWeight: 322.78666

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C(=C1CC(=O)C)[N+](=O)[O-])C#N)CCC)Cl

Isomeric SMILES

CCCC1=C(C(=C(C(=C1CC(=O)C)[N+](=O)[O-])C#N)CCC)Cl

InChI

InChI=1S/C16H19ClN2O3/c1-4-6-11-13(8-10(3)20)16(19(21)22)14(9-18)12(7-5-2)15(11)17/h4-8H2,1-3H3