ethanedioic acid; N-(3-nitrophenyl)-2-(thiophen-2-ylmethylamino)propanamide

Systemtic Name: ethanedioic acid; N-(3-nitrophenyl)-2-(thiophen-2-ylmethylamino)propanamide Openeye Name: N-(3-nitrophenyl)-2-(2-thienylmethylamino)propanamide; oxalic acid CAS Name: N-(3-nitrophenyl)-2-(thiophen-2-ylmethylamino)propanamide; oxalic acid IUPAC Name: N-(3-nitrophenyl)-2-(thiophen-2-ylmethylamino)propanamide; oxalic acid Traditional Name: N-(3-nitrophenyl)-2-(2-thenylamino)propionamide; oxalic acid Formula: C16H17N3O7S MolecularWeight: 395.38708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])NCC2=CC=CS2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])NCC2=CC=CS2.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H15N3O3S.C2H2O4/c1-10(15-9-13-6-3-7-21-13)14(18)16-11-4-2-5-12(8-11)17(19)20;3-1(4)2(5)6/h2-8,10,15H,9H2,1H3,(H,16,18);(H,3,4)(H,5,6)