4-[2-methyl-1-(phenylmethyl)indol-3-yl]-5,7-dinitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium

Systemtic Name: 4-[2-methyl-1-(phenylmethyl)indol-3-yl]-5,7-dinitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium Openeye Name: 4-(1-benzyl-2-methyl-indol-3-yl)-5,7-dinitro-3-oxido-2,1,3-benzoxadiazol-3-ium CAS Name: 4-[2-methyl-1-(phenylmethyl)-3-indolyl]-5,7-dinitro-3-oxido-2,1,3-benzoxadiazol-3-ium IUPAC Name: 4-(1-benzyl-2-methylindol-3-yl)-5,7-dinitro-3-oxido-2,1,3-benzoxadiazol-3-ium Traditional Name: 7-(1-benzyl-2-methyl-indol-3-yl)-4,6-dinitro-1-oxido-benzofurazan-1-ium Formula: C22H15N5O6 MolecularWeight: 445.3844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)C4=C(C=C(C5=NO[N+](=C45)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)C4=C(C=C(C5=NO[N+](=C45)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H15N5O6/c1-13-19(15-9-5-6-10-16(15)24(13)12-14-7-3-2-4-8-14)20-17(25(28)29)11-18(26(30)31)21-22(20)27(32)33-23-21/h2-11H,12H2,1H3