[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C18H16N4O6S MolecularWeight: 416.40784

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=C(C=CS3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=C(C=CS3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O6S/c19-10-13-3-8-29-17(13)20-16(23)11-28-18(24)12-1-2-14(15(9-12)22(25)26)21-4-6-27-7-5-21/h1-3,8-9H,4-7,11H2,(H,20,23)