1,3-dimethyl-5-nitro-6-[(phenylmethyl)amino]benzimidazol-2-one

Systemtic Name: 1,3-dimethyl-5-nitro-6-[(phenylmethyl)amino]benzimidazol-2-one Openeye Name: 5-(benzylamino)-1,3-dimethyl-6-nitro-benzimidazol-2-one CAS Name: 1,3-dimethyl-5-nitro-6-[(phenylmethyl)amino]-2-benzimidazolone IUPAC Name: 5-(benzylamino)-1,3-dimethyl-6-nitrobenzimidazol-2-one Traditional Name: 5-(benzylamino)-1,3-dimethyl-6-nitro-benzimidazol-2-one Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C16H16N4O3/c1-18-14-8-12(17-10-11-6-4-3-5-7-11)13(20(22)23)9-15(14)19(2)16(18)21/h3-9,17H,10H2,1-2H3