2-azanyl-4-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: 2-amino-4-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: 2-amino-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: 2-amino-4-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N

InChI

InChI=1S/C20H21N3O6/c1-4-28-14-6-10(5-12(18(14)25)23(26)27)16-11(9-21)19(22)29-15-8-20(2,3)7-13(24)17(15)16/h5-6,16,25H,4,7-8,22H2,1-3H3