2-azanyl-4-[3-[(2,5-dimethyl-4-nitro-imidazol-1-yl)methyl]-4-methoxy-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-[3-[(2,5-dimethyl-4-nitro-imidazol-1-yl)methyl]-4-methoxy-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-[3-[(2,5-dimethyl-4-nitro-imidazol-1-yl)methyl]-4-methoxy-phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-[3-[(2,5-dimethyl-4-nitro-1-imidazolyl)methyl]-4-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[3-[(2,5-dimethyl-4-nitroimidazol-1-yl)methyl]-4-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-[3-[(2,5-dimethyl-4-nitro-imidazol-1-yl)methyl]-4-methoxy-phenyl]-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C23H23N5O5 MolecularWeight: 449.45922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1CC2=C(C=CC(=C2)C3C(=C(OC4=C3C(=O)CCC4)N)C#N)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=C(N1CC2=C(C=CC(=C2)C3C(=C(OC4=C3C(=O)CCC4)N)C#N)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C23H23N5O5/c1-12-23(28(30)31)26-13(2)27(12)11-15-9-14(7-8-18(15)32-3)20-16(10-24)22(25)33-19-6-4-5-17(29)21(19)20/h7-9,20H,4-6,11,25H2,1-3H3