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

Systemtic Name: 2-azanyl-4-[4-methoxy-3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: 2-amino-4-[4-methoxy-3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: 2-amino-4-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: 2-amino-5-keto-4-[4-methoxy-3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C27H27N3O6 MolecularWeight: 489.51978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)C3C(=C(OC4=C3C(=O)CC(C4)(C)C)N)C#N)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)C3C(=C(OC4=C3C(=O)CC(C4)(C)C)N)C#N)OC)[N+](=O)[O-]

InChI

InChI=1S/C27H27N3O6/c1-15-9-18(6-7-20(15)30(32)33)35-14-17-10-16(5-8-22(17)34-4)24-19(13-28)26(29)36-23-12-27(2,3)11-21(31)25(23)24/h5-10,24H,11-12,14,29H2,1-4H3