N-[2,2-dimethyl-7-nitro-3-oxidanyl-4-(pentylamino)-3,4-dihydrochromen-6-yl]methanamide

Systemtic Name: N-[2,2-dimethyl-7-nitro-3-oxidanyl-4-(pentylamino)-3,4-dihydrochromen-6-yl]methanamide Openeye Name: N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(pentylamino)chroman-6-yl]formamide CAS Name: N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(pentylamino)-3,4-dihydro-2H-1-benzopyran-6-yl]formamide IUPAC Name: N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(pentylamino)-3,4-dihydrochromen-6-yl]formamide Traditional Name: N-[4-(amylamino)-3-hydroxy-2,2-dimethyl-7-nitro-chroman-6-yl]formamide Formula: C17H25N3O5 MolecularWeight: 351.3975

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1C(C(OC2=CC(=C(C=C12)NC=O)[N+](=O)[O-])(C)C)O

Isomeric SMILES

CCCCCNC1C(C(OC2=CC(=C(C=C12)NC=O)[N+](=O)[O-])(C)C)O

InChI

InChI=1S/C17H25N3O5/c1-4-5-6-7-18-15-11-8-12(19-10-21)13(20(23)24)9-14(11)25-17(2,3)16(15)22/h8-10,15-16,18,22H,4-7H2,1-3H3,(H,19,21)