[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,4,5-triacetyloxybenzoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,4,5-triacetyloxybenzoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 3,4,5-triacetoxybenzoate CAS Name: 3,4,5-triacetyloxybenzoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 3,4,5-triacetyloxybenzoate Traditional Name: 3,4,5-triacetoxybenzoic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C22H17N3O11 MolecularWeight: 499.38388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=CC(=C1OC(=O)C)OC(=O)C)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC(=O)OC1=CC(=CC(=C1OC(=O)C)OC(=O)C)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C22H17N3O11/c1-11(26)34-18-7-14(8-19(35-12(2)27)21(18)36-13(3)28)22(30)33-10-20(29)24-17-5-4-16(25(31)32)6-15(17)9-23/h4-8H,10H2,1-3H3,(H,24,29)