[2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]ethanoate

Systemtic Name: [2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]ethanoate Openeye Name: [2-(2-chloro-5-nitro-anilino)-2-oxo-ethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate CAS Name: 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetic acid [2-(2-chloro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-nitroanilino)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetic acid [2-(2-chloro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C18H18ClN3O7 MolecularWeight: 423.80442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=O)N(C2=O)CC(=O)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCC2C(C1)C(=O)N(C2=O)CC(=O)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H18ClN3O7/c19-13-6-5-10(22(27)28)7-14(13)20-15(23)9-29-16(24)8-21-17(25)11-3-1-2-4-12(11)18(21)26/h5-7,11-12H,1-4,8-9H2,(H,20,23)