2-ethoxy-4-[3-(2-methoxyethoxycarbonyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinolin-4-yl]-6-nitro-phenolate

Systemtic Name: 2-ethoxy-4-[3-(2-methoxyethoxycarbonyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinolin-4-yl]-6-nitro-phenolate Openeye Name: 2-ethoxy-4-[3-(2-methoxyethoxycarbonyl)-2-methyl-5-oxo-7-(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinolin-4-yl]-6-nitro-phenolate CAS Name: 2-ethoxy-4-[3-[2-methoxyethoxy(oxo)methyl]-2-methyl-5-oxo-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinolin-4-yl]-6-nitrophenolate IUPAC Name: 2-ethoxy-4-[3-(2-methoxyethoxycarbonyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinolin-4-yl]-6-nitrophenolate Traditional Name: 2-ethoxy-4-[5-keto-3-(2-methoxyethoxycarbonyl)-2-methyl-7-(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinolin-4-yl]-6-nitro-phenolate Formula: C26H27N2O8S- MolecularWeight: 527.56618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2C3C(=O)CC(C=C3NC(=C2C(=O)OCCOC)C)C4=CC=CS4

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2C3C(=O)CC(C=C3NC(=C2C(=O)OCCOC)C)C4=CC=CS4

InChI

InChI=1S/C26H28N2O8S/c1-4-35-20-13-16(11-18(25(20)30)28(32)33)23-22(26(31)36-8-7-34-3)14(2)27-17-10-15(12-19(29)24(17)23)21-6-5-9-37-21/h5-6,9-11,13,15,23-24,27,30H,4,7-8,12H2,1-3H3/p-1