3-[(4-nitrophenyl)methylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[(4-nitrophenyl)methylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[(4-nitrophenyl)methylamino]-3-(2-thienyl)propanoic acid CAS Name: 3-[(4-nitrophenyl)methylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[(4-nitrophenyl)methylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[(4-nitrobenzyl)amino]-3-(2-thienyl)propionic acid Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(CC(=O)O)NCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C(CC(=O)O)NCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O4S/c17-14(18)8-12(13-2-1-7-21-13)15-9-10-3-5-11(6-4-10)16(19)20/h1-7,12,15H,8-9H2,(H,17,18)