2-azanyl-4-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyran-3-carbonitrile

Systemtic Name: 2-azanyl-4-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyran-3-carbonitrile Openeye Name: 2-amino-4-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile CAS Name: 2-amino-4-[3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-methoxyphenyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile IUPAC Name: 2-amino-4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile Traditional Name: 2-amino-4-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]-5-keto-7-methyl-4H-pyrano[3,2-c]pyran-3-carbonitrile Formula: C23H21N5O6 MolecularWeight: 463.44274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)OC)CN4C(=C(C(=N4)C)[N+](=O)[O-])C)C(=O)O1

Isomeric SMILES

CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)OC)CN4C(=C(C(=N4)C)[N+](=O)[O-])C)C(=O)O1

InChI

InChI=1S/C23H21N5O6/c1-11-7-18-20(23(29)33-11)19(16(9-24)22(25)34-18)14-5-6-17(32-4)15(8-14)10-27-13(3)21(28(30)31)12(2)26-27/h5-8,19H,10,25H2,1-4H3