3-methyl-7-[(4-nitrophenyl)methylideneamino]-2-phosphonato-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one

Systemtic Name: 3-methyl-7-[(4-nitrophenyl)methylideneamino]-2-phosphonato-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one Openeye Name: 3-methyl-7-[(4-nitrophenyl)methyleneamino]-2-phosphonato-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one CAS Name: 3-methyl-7-[(4-nitrophenyl)methylideneamino]-2-phosphonato-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one IUPAC Name: 3-methyl-7-[(4-nitrophenyl)methylideneamino]-2-phosphonato-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one Traditional Name: 3-methyl-7-[(4-nitrobenzylidene)amino]-2-phosphonato-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one Formula: C14H12N3O6PS-2 MolecularWeight: 381.300341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N3O6PS/c1-8-7-25-14-11(12(18)16(14)13(8)24(21,22)23)15-6-9-2-4-10(5-3-9)17(19)20/h2-6,11,14H,7H2,1H3,(H2,21,22,23)/p-2