[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,4-di(propan-2-yl)benzoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,4-di(propan-2-yl)benzoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 2,4-diisopropylbenzoate CAS Name: 2,4-di(propan-2-yl)benzoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2,4-di(propan-2-yl)benzoate Traditional Name: 2,4-diisopropylbenzoic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C(C)C

InChI

InChI=1S/C22H23N3O5/c1-13(2)15-5-7-18(19(10-15)14(3)4)22(27)30-12-21(26)24-20-8-6-17(25(28)29)9-16(20)11-23/h5-10,13-14H,12H2,1-4H3,(H,24,26)