4-(chloromethyl)-N-ethyl-2-nitro-N-propyl-aniline

Systemtic Name: 4-(chloromethyl)-N-ethyl-2-nitro-N-propyl-aniline Openeye Name: 4-(chloromethyl)-N-ethyl-2-nitro-N-propyl-aniline CAS Name: 4-(chloromethyl)-N-ethyl-2-nitro-N-propylaniline IUPAC Name: 4-(chloromethyl)-N-ethyl-2-nitro-N-propylaniline Traditional Name: [4-(chloromethyl)-2-nitro-phenyl]-ethyl-propyl-amine Formula: C12H17ClN2O2 MolecularWeight: 256.72858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17ClN2O2/c1-3-7-14(4-2)11-6-5-10(9-13)8-12(11)15(16)17/h5-6,8H,3-4,7,9H2,1-2H3