5-[[4-(4-nitrophenyl)sulfanylphenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[[4-(4-nitrophenyl)sulfanylphenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[4-(4-nitrophenyl)sulfanylanilino]-5-oxo-pentanoate CAS Name: 5-[4-[(4-nitrophenyl)thio]anilino]-5-oxopentanoate IUPAC Name: 5-[4-(4-nitrophenyl)sulfanylanilino]-5-oxopentanoate Traditional Name: 5-keto-5-[4-[(4-nitrophenyl)thio]anilino]valerate Formula: C17H15N2O5S- MolecularWeight: 359.3764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCCC(=O)[O-])SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCCC(=O)[O-])SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5S/c20-16(2-1-3-17(21)22)18-12-4-8-14(9-5-12)25-15-10-6-13(7-11-15)19(23)24/h4-11H,1-3H2,(H,18,20)(H,21,22)/p-1