N-butan-2-yl-4-(chloromethyl)-N-methyl-2-nitro-aniline

Systemtic Name: N-butan-2-yl-4-(chloromethyl)-N-methyl-2-nitro-aniline Openeye Name: 4-(chloromethyl)-N-methyl-2-nitro-N-sec-butyl-aniline CAS Name: N-butan-2-yl-4-(chloromethyl)-N-methyl-2-nitroaniline IUPAC Name: N-butan-2-yl-4-(chloromethyl)-N-methyl-2-nitroaniline Traditional Name: [4-(chloromethyl)-2-nitro-phenyl]-methyl-sec-butyl-amine Formula: C12H17ClN2O2 MolecularWeight: 256.72858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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