4-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-2-nitro-phenolate

Systemtic Name: 4-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-2-nitro-phenolate Openeye Name: 4-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-2-nitro-phenolate CAS Name: 4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-2-nitrophenolate IUPAC Name: 4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-2-nitrophenolate Traditional Name: 4-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-2-nitro-phenolate Formula: C16H14N3O4S- MolecularWeight: 344.36506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N=CC3=CC(=C(C=C3)[O-])[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N=CC3=CC(=C(C=C3)[O-])[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C16H15N3O4S/c17-15(21)14-10-3-1-2-4-13(10)24-16(14)18-8-9-5-6-12(20)11(7-9)19(22)23/h5-8,20H,1-4H2,(H2,17,21)/p-1