(2-phenylindol-1-yl) 3,5-dinitrobenzoate

Systemtic Name: (2-phenylindol-1-yl) 3,5-dinitrobenzoate Openeye Name: (2-phenylindol-1-yl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (2-phenyl-1-indolyl) ester IUPAC Name: (2-phenylindol-1-yl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (2-phenylindol-1-yl) ester Formula: C21H13N3O6 MolecularWeight: 403.34442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=CC=CC=C3N2OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=CC=CC=C3N2OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H13N3O6/c25-21(16-10-17(23(26)27)13-18(11-16)24(28)29)30-22-19-9-5-4-8-15(19)12-20(22)14-6-2-1-3-7-14/h1-13H