4-(1-imidazol-1-ylethyl)-2-nitro-N-(phenylmethyl)aniline

Systemtic Name: 4-(1-imidazol-1-ylethyl)-2-nitro-N-(phenylmethyl)aniline Openeye Name: N-benzyl-4-(1-imidazol-1-ylethyl)-2-nitro-aniline CAS Name: 4-[1-(1-imidazolyl)ethyl]-2-nitro-N-(phenylmethyl)aniline IUPAC Name: N-benzyl-4-(1-imidazol-1-ylethyl)-2-nitroaniline Traditional Name: benzyl-[4-(1-imidazol-1-ylethyl)-2-nitro-phenyl]amine Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)NCC2=CC=CC=C2)[N+](=O)[O-])N3C=CN=C3

Isomeric SMILES

CC(C1=CC(=C(C=C1)NCC2=CC=CC=C2)[N+](=O)[O-])N3C=CN=C3

InChI

InChI=1S/C18H18N4O2/c1-14(21-10-9-19-13-21)16-7-8-17(18(11-16)22(23)24)20-12-15-5-3-2-4-6-15/h2-11,13-14,20H,12H2,1H3