[5-methoxy-4-(3-methylbutoxy)-2-nitro-phenyl]methanamine

Systemtic Name: [5-methoxy-4-(3-methylbutoxy)-2-nitro-phenyl]methanamine Openeye Name: (4-isopentyloxy-5-methoxy-2-nitro-phenyl)methanamine CAS Name: [5-methoxy-4-(3-methylbutoxy)-2-nitrophenyl]methanamine IUPAC Name: [5-methoxy-4-(3-methylbutoxy)-2-nitrophenyl]methanamine Traditional Name: (4-isoamoxy-5-methoxy-2-nitro-benzyl)amine Formula: C13H20N2O4 MolecularWeight: 268.3089

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O4/c1-9(2)4-5-19-13-7-11(15(16)17)10(8-14)6-12(13)18-3/h6-7,9H,4-5,8,14H2,1-3H3