2-ethoxy-6-nitro-4-[(4S)-2,7,7-trimethyl-3-morpholin-4-ylcarbonyl-5-oxidanylidene-1,4,6,8-tetrahydroquinolin-4-yl]phenolate

Systemtic Name: 2-ethoxy-6-nitro-4-[(4S)-2,7,7-trimethyl-3-morpholin-4-ylcarbonyl-5-oxidanylidene-1,4,6,8-tetrahydroquinolin-4-yl]phenolate Openeye Name: 2-ethoxy-6-nitro-4-[(4S)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-5-oxo-1,4,6,8-tetrahydroquinolin-4-yl]phenolate CAS Name: 2-ethoxy-6-nitro-4-[(4S)-2,7,7-trimethyl-3-[4-morpholinyl(oxo)methyl]-5-oxo-1,4,6,8-tetrahydroquinolin-4-yl]phenolate IUPAC Name: 2-ethoxy-6-nitro-4-[(4S)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-5-oxo-1,4,6,8-tetrahydroquinolin-4-yl]phenolate Traditional Name: 2-ethoxy-4-[(4S)-5-keto-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-4-yl]-6-nitro-phenolate Formula: C25H30N3O7- MolecularWeight: 484.5216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)N4CCOCC4)C

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])[C@H]2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)N4CCOCC4)C

InChI

InChI=1S/C25H31N3O7/c1-5-35-19-11-15(10-17(23(19)30)28(32)33)21-20(24(31)27-6-8-34-9-7-27)14(2)26-16-12-25(3,4)13-18(29)22(16)21/h10-11,21,26,30H,5-9,12-13H2,1-4H3/p-1/t21-/m1/s1