3-[(2-nitrophenyl)methylazaniumyl]-3-thiophen-2-yl-propanoate

Systemtic Name: 3-[(2-nitrophenyl)methylazaniumyl]-3-thiophen-2-yl-propanoate Openeye Name: 3-[(2-nitrophenyl)methylammonio]-3-(2-thienyl)propanoate CAS Name: 3-[(2-nitrophenyl)methylammonio]-3-thiophen-2-ylpropanoate IUPAC Name: 3-[(2-nitrophenyl)methylazaniumyl]-3-thiophen-2-ylpropanoate Traditional Name: 3-[(2-nitrobenzyl)ammonio]-3-(2-thienyl)propionate Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C[NH2+]C(CC(=O)[O-])C2=CC=CS2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C[NH2+]C(CC(=O)[O-])C2=CC=CS2)[N+](=O)[O-]

InChI

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