6-(3,4-dichlorophenyl)-5-(1H-isoindol-5-ylamino)-3,5-dinitro-cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 6-(3,4-dichlorophenyl)-5-(1H-isoindol-5-ylamino)-3,5-dinitro-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 6-(3,4-dichlorophenyl)-5-(1H-isoindol-5-ylamino)-3,5-dinitro-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 6-(3,4-dichlorophenyl)-5-(1H-isoindol-5-ylamino)-3,5-dinitro-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 6-(3,4-dichlorophenyl)-5-(1H-isoindol-5-ylamino)-3,5-dinitrocyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 6-(3,4-dichlorophenyl)-5-(1H-isoindol-5-ylamino)-3,5-dinitro-cyclohexa-1,3-diene-1-carboxylic acid Formula: C21H14Cl2N4O6 MolecularWeight: 489.26506

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)NC3(C=C(C=C(C3C4=CC(=C(C=C4)Cl)Cl)C(=O)O)[N+](=O)[O-])[N+](=O)[O-])C=N1

Isomeric SMILES

C1C2=C(C=C(C=C2)NC3(C=C(C=C(C3C4=CC(=C(C=C4)Cl)Cl)C(=O)O)[N+](=O)[O-])[N+](=O)[O-])C=N1

InChI

InChI=1S/C21H14Cl2N4O6/c22-17-4-2-11(6-18(17)23)19-16(20(28)29)7-15(26(30)31)8-21(19,27(32)33)25-14-3-1-12-9-24-10-13(12)5-14/h1-8,10,19,25H,9H2,(H,28,29)