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

Systemtic Name: 2-ethoxy-4-[2-methyl-5-oxidanylidene-3-(2-phenoxyethoxycarbonyl)-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-6-nitro-phenolate Openeye Name: 2-ethoxy-4-[2-methyl-5-oxo-3-(2-phenoxyethoxycarbonyl)-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-6-nitro-phenolate CAS Name: 2-ethoxy-4-[2-methyl-5-oxo-3-[oxo(2-phenoxyethoxy)methyl]-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-6-nitrophenolate IUPAC Name: 2-ethoxy-4-[2-methyl-5-oxo-3-(2-phenoxyethoxycarbonyl)-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-(2-phenoxyethoxycarbonyl)-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)OCCOC5=CC=CC=C5)C

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OCCOC5=CC=CC=C5)C

InChI

InChI=1S/C31H30N2O8S/c1-3-39-25-17-20(15-23(30(25)35)33(37)38)28-27(31(36)41-12-11-40-21-8-5-4-6-9-21)18(2)32-22-14-19(16-24(34)29(22)28)26-10-7-13-42-26/h4-10,13,15,17,19,28,32,35H,3,11-12,14,16H2,1-2H3/p-1