bis(3,5-dinitrophenyl)methanone; 1,2,3-trimethyl-5-(2-phenylpropan-2-yl)indole

Systemtic Name: bis(3,5-dinitrophenyl)methanone; 1,2,3-trimethyl-5-(2-phenylpropan-2-yl)indole Openeye Name: bis(3,5-dinitrophenyl)methanone; 1,2,3-trimethyl-5-(1-methyl-1-phenyl-ethyl)indole CAS Name: bis(3,5-dinitrophenyl)methanone; 1,2,3-trimethyl-5-(2-phenylpropan-2-yl)indole IUPAC Name: bis(3,5-dinitrophenyl)methanone; 1,2,3-trimethyl-5-(2-phenylpropan-2-yl)indole Traditional Name: bis(3,5-dinitrophenyl)methanone; 5-cumyl-1,2,3-trimethyl-indole Formula: C33H29N5O9 MolecularWeight: 639.61146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)C(C)(C)C3=CC=CC=C3)C)C.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)C(C)(C)C3=CC=CC=C3)C)C.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H23N.C13H6N4O9/c1-14-15(2)21(5)19-12-11-17(13-18(14)19)20(3,4)16-9-7-6-8-10-16;18-13(7-1-9(14(19)20)5-10(2-7)15(21)22)8-3-11(16(23)24)6-12(4-8)17(25)26/h6-13H,1-5H3;1-6H