3-iodanylbutan-1-amine; 2-methyl-4-(1-nitroindol-2-yl)-1-(4-propoxyphenyl)butan-1-one

Systemtic Name: 3-iodanylbutan-1-amine; 2-methyl-4-(1-nitroindol-2-yl)-1-(4-propoxyphenyl)butan-1-one Openeye Name: 3-iodobutan-1-amine; 2-methyl-4-(1-nitroindol-2-yl)-1-(4-propoxyphenyl)butan-1-one CAS Name: 3-iodo-1-butanamine; 2-methyl-4-(1-nitro-2-indolyl)-1-(4-propoxyphenyl)-1-butanone IUPAC Name: 3-iodobutan-1-amine; 2-methyl-4-(1-nitroindol-2-yl)-1-(4-propoxyphenyl)butan-1-one Traditional Name: 3-iodobutylamine; 2-methyl-4-(1-nitroindol-2-yl)-1-(4-propoxyphenyl)butan-1-one Formula: C26H34IN3O4 MolecularWeight: 579.47033

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)C(C)CCC2=CC3=CC=CC=C3N2[N+](=O)[O-].CC(CCN)I

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)C(C)CCC2=CC3=CC=CC=C3N2[N+](=O)[O-].CC(CCN)I

InChI

InChI=1S/C22H24N2O4.C4H10IN/c1-3-14-28-20-12-9-17(10-13-20)22(25)16(2)8-11-19-15-18-6-4-5-7-21(18)23(19)24(26)27;1-4(5)2-3-6/h4-7,9-10,12-13,15-16H,3,8,11,14H2,1-2H3;4H,2-3,6H2,1H3