N-(3-imidazol-1-ylpropyl)-3-methyl-4-nitro-aniline

Systemtic Name: N-(3-imidazol-1-ylpropyl)-3-methyl-4-nitro-aniline Openeye Name: N-(3-imidazol-1-ylpropyl)-3-methyl-4-nitro-aniline CAS Name: N-[3-(1-imidazolyl)propyl]-3-methyl-4-nitroaniline IUPAC Name: N-(3-imidazol-1-ylpropyl)-3-methyl-4-nitroaniline Traditional Name: 3-imidazol-1-ylpropyl-(3-methyl-4-nitro-phenyl)amine Formula: C13H16N4O2 MolecularWeight: 260.29174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NCCCN2C=CN=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)NCCCN2C=CN=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O2/c1-11-9-12(3-4-13(11)17(18)19)15-5-2-7-16-8-6-14-10-16/h3-4,6,8-10,15H,2,5,7H2,1H3