N-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-3-nitro-aniline

Systemtic Name: N-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-3-nitro-aniline Openeye Name: N-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-3-nitro-aniline CAS Name: N-[(2-methyl-5-nitro-1-imidazolyl)methyl]-3-nitroaniline IUPAC Name: N-[(2-methyl-5-nitroimidazol-1-yl)methyl]-3-nitroaniline Traditional Name: (2-methyl-5-nitro-imidazol-1-yl)methyl-(3-nitrophenyl)amine Formula: C11H11N5O4 MolecularWeight: 277.23614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CNC2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CNC2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H11N5O4/c1-8-12-6-11(16(19)20)14(8)7-13-9-3-2-4-10(5-9)15(17)18/h2-6,13H,7H2,1H3