ethyl 4-[[3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-2-cyano-prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 4-[[3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 4-[[3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 4-[[3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-2-cyano-acryloyl]amino]benzoic acid ethyl ester Formula: C29H27N3O6 MolecularWeight: 513.54118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)OC3=CC=C(C=C3)C(C)(C)C)[N+](=O)[O-])C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)OC3=CC=C(C=C3)C(C)(C)C)[N+](=O)[O-])C#N

InChI

InChI=1S/C29H27N3O6/c1-5-37-28(34)20-7-11-23(12-8-20)31-27(33)21(18-30)16-19-6-15-26(25(17-19)32(35)36)38-24-13-9-22(10-14-24)29(2,3)4/h6-17H,5H2,1-4H3,(H,31,33)