[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate Openeye Name: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl] (E)-3-(4-isopropylphenyl)prop-2-enoate CAS Name: (E)-3-(4-propan-2-ylphenyl)-2-propenoic acid [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate Traditional Name: (E)-3-p-cumenylacrylic acid [2-keto-2-(2-methoxy-4-nitro-anilino)ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6/c1-14(2)16-7-4-15(5-8-16)6-11-21(25)29-13-20(24)22-18-10-9-17(23(26)27)12-19(18)28-3/h4-12,14H,13H2,1-3H3,(H,22,24)/b11-6+