1-chloranyl-4-nitro-2-(pentoxymethyl)benzene

Systemtic Name: 1-chloranyl-4-nitro-2-(pentoxymethyl)benzene Openeye Name: 1-chloro-4-nitro-2-(pentoxymethyl)benzene CAS Name: 1-chloro-4-nitro-2-(pentoxymethyl)benzene IUPAC Name: 1-chloro-4-nitro-2-(pentoxymethyl)benzene Traditional Name: 2-(amoxymethyl)-1-chloro-4-nitro-benzene Formula: C12H16ClNO3 MolecularWeight: 257.71334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOCC1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCCOCC1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H16ClNO3/c1-2-3-4-7-17-9-10-8-11(14(15)16)5-6-12(10)13/h5-6,8H,2-4,7,9H2,1H3