N-[(4-chloranyl-3-nitro-phenyl)methyl]-N-methyl-butan-2-amine

Systemtic Name: N-[(4-chloranyl-3-nitro-phenyl)methyl]-N-methyl-butan-2-amine Openeye Name: N-[(4-chloro-3-nitro-phenyl)methyl]-N-methyl-butan-2-amine CAS Name: N-[(4-chloro-3-nitrophenyl)methyl]-N-methyl-2-butanamine IUPAC Name: N-[(4-chloro-3-nitrophenyl)methyl]-N-methylbutan-2-amine Traditional Name: (4-chloro-3-nitro-benzyl)-methyl-sec-butyl-amine Formula: C12H17ClN2O2 MolecularWeight: 256.72858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C)CC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(C)N(C)CC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

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