pentyl 11-nitroso-6-oxidanyl-naphtho[2,3-b]indolizine-12-carboxylate

Systemtic Name: pentyl 11-nitroso-6-oxidanyl-naphtho[2,3-b]indolizine-12-carboxylate Openeye Name: pentyl 6-hydroxy-11-nitroso-naphtho[2,3-b]indolizine-12-carboxylate CAS Name: 6-hydroxy-11-nitroso-12-naphtho[2,3-b]indolizinecarboxylic acid pentyl ester IUPAC Name: pentyl 6-hydroxy-11-nitrosonaphtho[2,3-b]indolizine-12-carboxylate Traditional Name: 6-hydroxy-11-nitroso-naphth[2,3-b]indolizine-12-carboxylic acid amyl ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C2C=CC=CN2C3=C(C4=CC=CC=C4C(=C13)N=O)O

Isomeric SMILES

CCCCCOC(=O)C1=C2C=CC=CN2C3=C(C4=CC=CC=C4C(=C13)N=O)O

InChI

InChI=1S/C22H20N2O4/c1-2-3-8-13-28-22(26)17-16-11-6-7-12-24(16)20-18(17)19(23-27)14-9-4-5-10-15(14)21(20)25/h4-7,9-12,25H,2-3,8,13H2,1H3