4-nitro-2-[[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]methyl]phenolate

Systemtic Name: 4-nitro-2-[[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]methyl]phenolate Openeye Name: 4-nitro-2-[[[4-oxo-4-(2-thienyl)butanoyl]amino]methyl]phenolate CAS Name: 2-[[(1,4-dioxo-4-thiophen-2-ylbutyl)amino]methyl]-4-nitrophenolate IUPAC Name: 4-nitro-2-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]methyl]phenolate Traditional Name: 2-[[[4-keto-4-(2-thienyl)butanoyl]amino]methyl]-4-nitro-phenolate Formula: C15H13N2O5S- MolecularWeight: 333.33912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O5S/c18-12-4-3-11(17(21)22)8-10(12)9-16-15(20)6-5-13(19)14-2-1-7-23-14/h1-4,7-8,18H,5-6,9H2,(H,16,20)/p-1