[2-(3-methylbutoxy)-5-nitro-phenyl]methanamine

Systemtic Name: [2-(3-methylbutoxy)-5-nitro-phenyl]methanamine Openeye Name: (2-isopentyloxy-5-nitro-phenyl)methanamine CAS Name: [2-(3-methylbutoxy)-5-nitrophenyl]methanamine IUPAC Name: [2-(3-methylbutoxy)-5-nitrophenyl]methanamine Traditional Name: (2-isoamoxy-5-nitro-benzyl)amine Formula: C12H18N2O3 MolecularWeight: 238.28292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)[N+](=O)[O-])CN

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)[N+](=O)[O-])CN

InChI

InChI=1S/C12H18N2O3/c1-9(2)5-6-17-12-4-3-11(14(15)16)7-10(12)8-13/h3-4,7,9H,5-6,8,13H2,1-2H3