(3S,4R)-2,2-dimethyl-4-[[(1S,6R)-4-methyl-5-oxidanylidene-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl]amino]-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3S,4R)-2,2-dimethyl-4-[[(1S,6R)-4-methyl-5-oxidanylidene-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl]amino]-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-[[(1S,6R)-4-methyl-5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl]amino]chromane-6-carbonitrile CAS Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-[[(1S,6R)-4-methyl-5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl]amino]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-[[(1S,6R)-4-methyl-5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl]amino]-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S,4R)-3-hydroxy-4-[[(1S,6R)-5-keto-4-methyl-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl]amino]-2,2-dimethyl-chroman-6-carbonitrile Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC3=NN(C(=O)C4C3C4)C)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)NC3=NN(C(=O)[C@H]4[C@@H]3C4)C)O)C

InChI

InChI=1S/C18H20N4O3/c1-18(2)15(23)14(12-6-9(8-19)4-5-13(12)25-18)20-16-10-7-11(10)17(24)22(3)21-16/h4-6,10-11,14-15,23H,7H2,1-3H3,(H,20,21)/t10-,11+,14+,15-/m0/s1