4-(chloromethyl)-N-ethyl-2-nitro-N-propan-2-yl-aniline

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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