sodium 3-(acetyloxymethyl)-7-[2-[(4-nitrophenyl)amino]ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium 3-(acetyloxymethyl)-7-[2-[(4-nitrophenyl)amino]ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 3-(acetoxymethyl)-7-[[2-(4-nitroanilino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 3-(acetyloxymethyl)-7-[[2-(4-nitroanilino)-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 3-(acetyloxymethyl)-7-[[2-(4-nitroanilino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 3-(acetoxymethyl)-8-keto-7-[[2-(4-nitroanilino)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C18H17N4NaO8S MolecularWeight: 472.40435

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CNC3=CC=C(C=C3)[N+](=O)[O-])SC1)C(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CNC3=CC=C(C=C3)[N+](=O)[O-])SC1)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H18N4O8S.Na/c1-9(23)30-7-10-8-31-17-14(16(25)21(17)15(10)18(26)27)20-13(24)6-19-11-2-4-12(5-3-11)22(28)29;/h2-5,14,17,19H,6-8H2,1H3,(H,20,24)(H,26,27);/q;+1/p-1