2-[[4-azanyl-2-[(2-nitrophenyl)sulfanylamino]-4-oxidanylidene-butanoyl]amino]-2-(4-hydroxyphenyl)ethanoic acid

Systemtic Name: 2-[[4-azanyl-2-[(2-nitrophenyl)sulfanylamino]-4-oxidanylidene-butanoyl]amino]-2-(4-hydroxyphenyl)ethanoic acid Openeye Name: 2-[[4-amino-2-[(2-nitrophenyl)sulfanylamino]-4-oxo-butanoyl]amino]-2-(4-hydroxyphenyl)acetic acid CAS Name: 2-[[4-amino-2-[[(2-nitrophenyl)thio]amino]-1,4-dioxobutyl]amino]-2-(4-hydroxyphenyl)acetic acid IUPAC Name: 2-[[4-amino-2-[(2-nitrophenyl)sulfanylamino]-4-oxobutanoyl]amino]-2-(4-hydroxyphenyl)acetic acid Traditional Name: 2-[[4-amino-4-keto-2-[[(2-nitrophenyl)thio]amino]butanoyl]amino]-2-(4-hydroxyphenyl)acetic acid Formula: C18H18N4O7S MolecularWeight: 434.42312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])SNC(CC(=O)N)C(=O)NC(C2=CC=C(C=C2)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])SNC(CC(=O)N)C(=O)NC(C2=CC=C(C=C2)O)C(=O)O

InChI

InChI=1S/C18H18N4O7S/c19-15(24)9-12(21-30-14-4-2-1-3-13(14)22(28)29)17(25)20-16(18(26)27)10-5-7-11(23)8-6-10/h1-8,12,16,21,23H,9H2,(H2,19,24)(H,20,25)(H,26,27)