3-[(4-chloranyl-3-nitro-phenyl)methylazaniumyl]-3-thiophen-2-yl-propanoate

Systemtic Name: 3-[(4-chloranyl-3-nitro-phenyl)methylazaniumyl]-3-thiophen-2-yl-propanoate Openeye Name: 3-[(4-chloro-3-nitro-phenyl)methylammonio]-3-(2-thienyl)propanoate CAS Name: 3-[(4-chloro-3-nitrophenyl)methylammonio]-3-thiophen-2-ylpropanoate IUPAC Name: 3-[(4-chloro-3-nitrophenyl)methylazaniumyl]-3-thiophen-2-ylpropanoate Traditional Name: 3-[(4-chloro-3-nitro-benzyl)ammonio]-3-(2-thienyl)propionate Formula: C14H13ClN2O4S MolecularWeight: 340.78202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(CC(=O)[O-])[NH2+]CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C(CC(=O)[O-])[NH2+]CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H13ClN2O4S/c15-10-4-3-9(6-12(10)17(20)21)8-16-11(7-14(18)19)13-2-1-5-22-13/h1-6,11,16H,7-8H2,(H,18,19)