2-azanyl-4-[4-methoxy-2-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-[4-methoxy-2-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: 2-amino-4-[4-methoxy-2-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: 2-amino-4-[4-methoxy-2-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[4-methoxy-2-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: 2-amino-5-keto-4-[4-methoxy-2-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C22H22N6O5 MolecularWeight: 450.44728

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=C(C=C(C=C3)OC)CN4C=NC(=N4)[N+](=O)[O-])C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=C(C=C(C=C3)OC)CN4C=NC(=N4)[N+](=O)[O-])C(=O)C1)C

InChI

InChI=1S/C22H22N6O5/c1-22(2)7-16(29)19-17(8-22)33-20(24)15(9-23)18(19)14-5-4-13(32-3)6-12(14)10-27-11-25-21(26-27)28(30)31/h4-6,11,18H,7-8,10,24H2,1-3H3