ethyl 4-[[(E)-2-cyano-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(E)-2-cyano-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)acryloyl]amino]benzoic acid ethyl ester Formula: C20H17N3O7 MolecularWeight: 411.36488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O7/c1-3-30-20(26)13-4-6-15(7-5-13)22-19(25)14(11-21)8-12-9-16(23(27)28)18(24)17(10-12)29-2/h4-10,24H,3H2,1-2H3,(H,22,25)/b14-8+