(2-chloranyl-4-nitro-phenyl) 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate Openeye Name: (2-chloro-4-nitro-phenyl) 2-allyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxylic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate Traditional Name: 2-allyl-1,3-diketo-isoindoline-5-carboxylic acid (2-chloro-4-nitro-phenyl) ester Formula: C18H11ClN2O6 MolecularWeight: 386.74274

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H11ClN2O6/c1-2-7-20-16(22)12-5-3-10(8-13(12)17(20)23)18(24)27-15-6-4-11(21(25)26)9-14(15)19/h2-6,8-9H,1,7H2