[3-(1,2-dihydroacenaphthylen-5-yliminomethyl)phenyl] 3,5-dinitrobenzoate

Systemtic Name: [3-(1,2-dihydroacenaphthylen-5-yliminomethyl)phenyl] 3,5-dinitrobenzoate Openeye Name: [3-(1,2-dihydroacenaphthylen-5-yliminomethyl)phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [3-(1,2-dihydroacenaphthylen-5-yliminomethyl)phenyl] ester IUPAC Name: [3-(1,2-dihydroacenaphthylen-5-yliminomethyl)phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [3-(acenaphthen-5-yliminomethyl)phenyl] ester Formula: C26H17N3O6 MolecularWeight: 467.42968

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC3=C(C=CC1=C23)N=CC4=CC(=CC=C4)OC(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC2=CC=CC3=C(C=CC1=C23)N=CC4=CC(=CC=C4)OC(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H17N3O6/c30-26(19-12-20(28(31)32)14-21(13-19)29(33)34)35-22-5-1-3-16(11-22)15-27-24-10-9-18-8-7-17-4-2-6-23(24)25(17)18/h1-6,9-15H,7-8H2