methyl 3-nitro-4-(3-oxidanylidene-8-phenyl-7,9-dioxa-4-azaspiro[4.5]decan-4-yl)benzoate

Systemtic Name: methyl 3-nitro-4-(3-oxidanylidene-8-phenyl-7,9-dioxa-4-azaspiro[4.5]decan-4-yl)benzoate Openeye Name: methyl 3-nitro-4-(3-oxo-8-phenyl-7,9-dioxa-4-azaspiro[4.5]decan-4-yl)benzoate CAS Name: 3-nitro-4-(3-oxo-8-phenyl-7,9-dioxa-4-azaspiro[4.5]decan-4-yl)benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-(3-oxo-8-phenyl-7,9-dioxa-4-azaspiro[4.5]decan-4-yl)benzoate Traditional Name: 4-(3-keto-8-phenyl-7,9-dioxa-4-azaspiro[4.5]decan-4-yl)-3-nitro-benzoic acid methyl ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2C(=O)CCC23COC(OC3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2C(=O)CCC23COC(OC3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O7/c1-28-19(25)15-7-8-16(17(11-15)23(26)27)22-18(24)9-10-21(22)12-29-20(30-13-21)14-5-3-2-4-6-14/h2-8,11,20H,9-10,12-13H2,1H3