[5-methoxy-4-(2-methylpropoxy)-2-nitro-phenyl]methanamine

Systemtic Name: [5-methoxy-4-(2-methylpropoxy)-2-nitro-phenyl]methanamine Openeye Name: (4-isobutoxy-5-methoxy-2-nitro-phenyl)methanamine CAS Name: [5-methoxy-4-(2-methylpropoxy)-2-nitrophenyl]methanamine IUPAC Name: [5-methoxy-4-(2-methylpropoxy)-2-nitrophenyl]methanamine Traditional Name: (4-isobutoxy-5-methoxy-2-nitro-benzyl)amine Formula: C12H18N2O4 MolecularWeight: 254.28232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C(=C1)[N+](=O)[O-])CN)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C(=C1)[N+](=O)[O-])CN)OC

InChI

InChI=1S/C12H18N2O4/c1-8(2)7-18-12-5-10(14(15)16)9(6-13)4-11(12)17-3/h4-5,8H,6-7,13H2,1-3H3