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

Systemtic Name: 3-methylbutyl 2-methyl-11-nitroso-6-oxidanyl-naphtho[2,3-b]indolizine-12-carboxylate Openeye Name: isopentyl 6-hydroxy-2-methyl-11-nitroso-naphtho[2,3-b]indolizine-12-carboxylate CAS Name: 6-hydroxy-2-methyl-11-nitroso-12-naphtho[2,3-b]indolizinecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 6-hydroxy-2-methyl-11-nitrosonaphtho[2,3-b]indolizine-12-carboxylate Traditional Name: 6-hydroxy-2-methyl-11-nitroso-naphth[2,3-b]indolizine-12-carboxylic acid isoamyl ester Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C3=C(C4=CC=CC=C4C(=C3N2C=C1)O)N=O)C(=O)OCCC(C)C

Isomeric SMILES

CC1=CC2=C(C3=C(C4=CC=CC=C4C(=C3N2C=C1)O)N=O)C(=O)OCCC(C)C

InChI

InChI=1S/C23H22N2O4/c1-13(2)9-11-29-23(27)18-17-12-14(3)8-10-25(17)21-19(18)20(24-28)15-6-4-5-7-16(15)22(21)26/h4-8,10,12-13,26H,9,11H2,1-3H3