benzimidazol-1-yl-[3,5-dinitro-4-(propan-2-ylamino)phenyl]methanone

Systemtic Name: benzimidazol-1-yl-[3,5-dinitro-4-(propan-2-ylamino)phenyl]methanone Openeye Name: benzimidazol-1-yl-[4-(isopropylamino)-3,5-dinitro-phenyl]methanone CAS Name: 1-benzimidazolyl-[3,5-dinitro-4-(propan-2-ylamino)phenyl]methanone IUPAC Name: benzimidazol-1-yl-[3,5-dinitro-4-(propan-2-ylamino)phenyl]methanone Traditional Name: benzimidazol-1-yl-[4-(isopropylamino)-3,5-dinitro-phenyl]methanone Formula: C17H15N5O5 MolecularWeight: 369.3315

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(=O)N2C=NC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(=O)N2C=NC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O5/c1-10(2)19-16-14(21(24)25)7-11(8-15(16)22(26)27)17(23)20-9-18-12-5-3-4-6-13(12)20/h3-10,19H,1-2H3