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

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl] 2-allyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxylic acid [2-(2-chloro-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl] 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate Traditional Name: 2-allyl-1,3-diketo-isoindoline-5-carboxylic acid [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl] ester Formula: C20H14ClN3O7 MolecularWeight: 443.79406

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H14ClN3O7/c1-2-7-23-18(26)13-5-3-11(8-14(13)19(23)27)20(28)31-10-17(25)22-16-6-4-12(24(29)30)9-15(16)21/h2-6,8-9H,1,7,10H2,(H,22,25)