7-[(2-azanyl-2-phenyl-ethanoyl)amino]-3-ethoxycarbonyl-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[(2-azanyl-2-phenyl-ethanoyl)amino]-3-ethoxycarbonyl-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-amino-2-phenyl-acetyl)amino]-3-ethoxycarbonyl-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(2-amino-1-oxo-2-phenylethyl)amino]-3-ethoxycarbonyl-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-amino-2-phenylacetyl)amino]-3-ethoxycarbonyl-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(2-amino-2-phenyl-acetyl)amino]-3-carbethoxy-8-keto-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H21N3O6 MolecularWeight: 387.38654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N2C(CC1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(N2C(CC1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O

InChI

InChI=1S/C19H21N3O6/c1-2-28-19(27)11-8-9-12-14(17(24)22(12)15(11)18(25)26)21-16(23)13(20)10-6-4-3-5-7-10/h3-7,12-14H,2,8-9,20H2,1H3,(H,21,23)(H,25,26)