1-[4-(3-methylbutylamino)-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-(3-methylbutylamino)-3-nitro-phenyl]ethanone Openeye Name: 1-[4-(isopentylamino)-3-nitro-phenyl]ethanone CAS Name: 1-[4-(3-methylbutylamino)-3-nitrophenyl]ethanone IUPAC Name: 1-[4-(3-methylbutylamino)-3-nitrophenyl]ethanone Traditional Name: 1-[4-(isoamylamino)-3-nitro-phenyl]ethanone Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(C=C(C=C1)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC1=C(C=C(C=C1)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O3/c1-9(2)6-7-14-12-5-4-11(10(3)16)8-13(12)15(17)18/h4-5,8-9,14H,6-7H2,1-3H3