2-ethoxy-4-[3-[(4-methoxyphenyl)methoxycarbonyl]-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-6-nitro-phenolate

Systemtic Name: 2-ethoxy-4-[3-[(4-methoxyphenyl)methoxycarbonyl]-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-6-nitro-phenolate Openeye Name: 2-ethoxy-4-[3-[(4-methoxyphenyl)methoxycarbonyl]-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-6-nitro-phenolate CAS Name: 2-ethoxy-4-[3-[(4-methoxyphenyl)methoxy-oxomethyl]-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-6-nitrophenolate IUPAC Name: 2-ethoxy-4-[3-[(4-methoxyphenyl)methoxycarbonyl]-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-6-nitrophenolate Traditional Name: 2-ethoxy-4-[5-keto-2-methyl-3-p-anisyloxycarbonyl-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-6-nitro-phenolate Formula: C31H29N2O8S- MolecularWeight: 589.63556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OCC5=CC=C(C=C5)OC)C

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OCC5=CC=C(C=C5)OC)C

InChI

InChI=1S/C31H30N2O8S/c1-4-40-25-15-20(13-23(30(25)35)33(37)38)28-27(31(36)41-16-18-7-9-21(39-3)10-8-18)17(2)32-22-12-19(14-24(34)29(22)28)26-6-5-11-42-26/h5-11,13,15,19,28,32,35H,4,12,14,16H2,1-3H3/p-1