ethyl 4-[[4-azanyl-3-cyano-5-(3-nitrophenyl)carbonyl-thiophen-2-yl]amino]benzoate

Systemtic Name: ethyl 4-[[4-azanyl-3-cyano-5-(3-nitrophenyl)carbonyl-thiophen-2-yl]amino]benzoate Openeye Name: ethyl 4-[[4-amino-3-cyano-5-(3-nitrobenzoyl)-2-thienyl]amino]benzoate CAS Name: 4-[[4-amino-3-cyano-5-[(3-nitrophenyl)-oxomethyl]-2-thiophenyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-amino-3-cyano-5-(3-nitrobenzoyl)thiophen-2-yl]amino]benzoate Traditional Name: 4-[[4-amino-3-cyano-5-(3-nitrobenzoyl)-2-thienyl]amino]benzoic acid ethyl ester Formula: C21H16N4O5S MolecularWeight: 436.44054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])N)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C21H16N4O5S/c1-2-30-21(27)12-6-8-14(9-7-12)24-20-16(11-22)17(23)19(31-20)18(26)13-4-3-5-15(10-13)25(28)29/h3-10,24H,2,23H2,1H3