ethyl 4-methyl-3-[[(E)-3-(3-nitrophenyl)-2-phenyl-prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 4-methyl-3-[[(E)-3-(3-nitrophenyl)-2-phenyl-prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-methyl-3-[[(E)-3-(3-nitrophenyl)-2-phenyl-prop-2-enoyl]amino]benzoate CAS Name: 4-methyl-3-[[(E)-3-(3-nitrophenyl)-1-oxo-2-phenylprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-methyl-3-[[(E)-3-(3-nitrophenyl)-2-phenylprop-2-enoyl]amino]benzoate Traditional Name: 4-methyl-3-[[(E)-3-(3-nitrophenyl)-2-phenyl-acryloyl]amino]benzoic acid ethyl ester Formula: C25H22N2O5 MolecularWeight: 430.45258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O5/c1-3-32-25(29)20-13-12-17(2)23(16-20)26-24(28)22(19-9-5-4-6-10-19)15-18-8-7-11-21(14-18)27(30)31/h4-16H,3H2,1-2H3,(H,26,28)/b22-15+