N-(1-adamantylmethyl)-6-nitro-2-oxidanylidene-chromene-3-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-6-nitro-2-oxidanylidene-chromene-3-carboxamide Openeye Name: N-(1-adamantylmethyl)-6-nitro-2-oxo-chromene-3-carboxamide CAS Name: N-(1-adamantylmethyl)-6-nitro-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: N-(1-adamantylmethyl)-6-nitro-2-oxochromene-3-carboxamide Traditional Name: N-(1-adamantylmethyl)-2-keto-6-nitro-chromene-3-carboxamide Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC5=C(C=CC(=C5)[N+](=O)[O-])OC4=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC5=C(C=CC(=C5)[N+](=O)[O-])OC4=O

InChI

InChI=1S/C21H22N2O5/c24-19(22-11-21-8-12-3-13(9-21)5-14(4-12)10-21)17-7-15-6-16(23(26)27)1-2-18(15)28-20(17)25/h1-2,6-7,12-14H,3-5,8-11H2,(H,22,24)