N-butyl-4-[3-(diethylamino)propoxy]-2-nitro-aniline

Systemtic Name: N-butyl-4-[3-(diethylamino)propoxy]-2-nitro-aniline Openeye Name: N-butyl-4-[3-(diethylamino)propoxy]-2-nitro-aniline CAS Name: N-butyl-4-[3-(diethylamino)propoxy]-2-nitroaniline IUPAC Name: N-butyl-4-[3-(diethylamino)propoxy]-2-nitroaniline Traditional Name: 3-[4-(butylamino)-3-nitro-phenoxy]propyl-diethyl-amine Formula: C17H29N3O3 MolecularWeight: 323.43046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)OCCCN(CC)CC)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)OCCCN(CC)CC)[N+](=O)[O-]

InChI

InChI=1S/C17H29N3O3/c1-4-7-11-18-16-10-9-15(14-17(16)20(21)22)23-13-8-12-19(5-2)6-3/h9-10,14,18H,4-8,11-13H2,1-3H3