2-[6,6-dimethyl-9-(3-nitrophenyl)-1,8-bis(oxidanylidene)-3,5,7,9-tetrahydrofuro[3,4-b]quinolin-4-yl]ethanoic acid

Systemtic Name: 2-[6,6-dimethyl-9-(3-nitrophenyl)-1,8-bis(oxidanylidene)-3,5,7,9-tetrahydrofuro[3,4-b]quinolin-4-yl]ethanoic acid Openeye Name: 2-[6,6-dimethyl-9-(3-nitrophenyl)-1,8-dioxo-3,5,7,9-tetrahydrofuro[3,4-b]quinolin-4-yl]acetic acid CAS Name: 2-[6,6-dimethyl-9-(3-nitrophenyl)-1,8-dioxo-3,5,7,9-tetrahydrofuro[3,4-b]quinolin-4-yl]acetic acid IUPAC Name: 2-[6,6-dimethyl-9-(3-nitrophenyl)-1,8-dioxo-3,5,7,9-tetrahydrofuro[3,4-b]quinolin-4-yl]acetic acid Traditional Name: 2-[1,8-diketo-6,6-dimethyl-9-(3-nitrophenyl)-3,5,7,9-tetrahydrofuro[3,4-b]quinolin-4-yl]acetic acid Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(N2CC(=O)O)COC3=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C3=C(N2CC(=O)O)COC3=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C1)C

InChI

InChI=1S/C21H20N2O7/c1-21(2)7-13-18(15(24)8-21)17(11-4-3-5-12(6-11)23(28)29)19-14(10-30-20(19)27)22(13)9-16(25)26/h3-6,17H,7-10H2,1-2H3,(H,25,26)