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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C(=C1[N+](=O)[O-])C#N)Cl)CCC)CC(=O)C

Isomeric SMILES

CCCC1=C(C(=C(C(=C1[N+](=O)[O-])C#N)Cl)CCC)CC(=O)C

InChI

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