2-ethoxy-4-(3-ethoxycarbonyl-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-ethoxycarbonyl-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-ethoxycarbonyl-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-ethoxycarbonyl-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-ethoxycarbonyl-2-methyl-5-oxo-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinolin-4-yl)-6-nitrophenolate Traditional Name: 4-[3-carbethoxy-5-keto-2-methyl-7-(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinolin-4-yl]-2-ethoxy-6-nitro-phenolate Formula: C25H25N2O7S- MolecularWeight: 497.5402

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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)OCC)C)C4=CC=CS4

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O7S/c1-4-33-19-12-15(10-17(24(19)29)27(31)32)22-21(25(30)34-5-2)13(3)26-16-9-14(11-18(28)23(16)22)20-7-6-8-35-20/h6-10,12,14,22-23,26,29H,4-5,11H2,1-3H3/p-1