5-imidazol-1-yl-N-(3-methylbutyl)-2-nitro-aniline

Systemtic Name: 5-imidazol-1-yl-N-(3-methylbutyl)-2-nitro-aniline Openeye Name: 5-imidazol-1-yl-N-isopentyl-2-nitro-aniline CAS Name: 5-(1-imidazolyl)-N-(3-methylbutyl)-2-nitroaniline IUPAC Name: 5-imidazol-1-yl-N-(3-methylbutyl)-2-nitroaniline Traditional Name: (5-imidazol-1-yl-2-nitro-phenyl)-isoamyl-amine Formula: C14H18N4O2 MolecularWeight: 274.31832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(C=CC(=C1)N2C=CN=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC1=C(C=CC(=C1)N2C=CN=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O2/c1-11(2)5-6-16-13-9-12(17-8-7-15-10-17)3-4-14(13)18(19)20/h3-4,7-11,16H,5-6H2,1-2H3