3-ethenyl-7-[2-(4-nitrophenyl)ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-ethenyl-7-[2-(4-nitrophenyl)ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-(4-nitrophenyl)acetyl]amino]-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-ethenyl-7-[[2-(4-nitrophenyl)-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-ethenyl-7-[[2-(4-nitrophenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-[[2-(4-nitrophenyl)acetyl]amino]-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H15N3O6S MolecularWeight: 389.3825

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])SC1)C(=O)O

Isomeric SMILES

C=CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])SC1)C(=O)O

InChI

InChI=1S/C17H15N3O6S/c1-2-10-8-27-16-13(15(22)19(16)14(10)17(23)24)18-12(21)7-9-3-5-11(6-4-9)20(25)26/h2-6,13,16H,1,7-8H2,(H,18,21)(H,23,24)