4-[(2-morpholin-4-yl-2-thiophen-2-yl-ethyl)amino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[(2-morpholin-4-yl-2-thiophen-2-yl-ethyl)amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[[2-morpholino-2-(2-thienyl)ethyl]amino]-3-nitro-benzonitrile CAS Name: 4-[[2-(4-morpholinyl)-2-thiophen-2-ylethyl]amino]-3-nitrobenzonitrile IUPAC Name: 4-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-3-nitrobenzonitrile Traditional Name: 4-[[2-morpholino-2-(2-thienyl)ethyl]amino]-3-nitro-benzonitrile Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(CNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

C1COCCN1C(CNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C17H18N4O3S/c18-11-13-3-4-14(15(10-13)21(22)23)19-12-16(17-2-1-9-25-17)20-5-7-24-8-6-20/h1-4,9-10,16,19H,5-8,12H2