N-[(2-chloranyl-5-nitro-phenyl)methyl]pentan-3-amine

Systemtic Name: N-[(2-chloranyl-5-nitro-phenyl)methyl]pentan-3-amine Openeye Name: N-[(2-chloro-5-nitro-phenyl)methyl]pentan-3-amine CAS Name: N-[(2-chloro-5-nitrophenyl)methyl]-3-pentanamine IUPAC Name: N-[(2-chloro-5-nitrophenyl)methyl]pentan-3-amine Traditional Name: (2-chloro-5-nitro-benzyl)-(1-ethylpropyl)amine Formula: C12H17ClN2O2 MolecularWeight: 256.72858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NCC1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CCC(CC)NCC1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

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