2-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]carbamoyl]-6-(3-nitrophenyl)quinoline-4-carboxylic acid

Systemtic Name: 2-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]carbamoyl]-6-(3-nitrophenyl)quinoline-4-carboxylic acid Openeye Name: 2-[[(1S)-1-[(4-hydroxyphenyl)methyl]-2-methoxy-2-oxo-ethyl]carbamoyl]-6-(3-nitrophenyl)quinoline-4-carboxylic acid CAS Name: 2-[[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-oxomethyl]-6-(3-nitrophenyl)-4-quinolinecarboxylic acid IUPAC Name: 2-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-6-(3-nitrophenyl)quinoline-4-carboxylic acid Traditional Name: 2-[[(1S)-1-(4-hydroxybenzyl)-2-keto-2-methoxy-ethyl]carbamoyl]-6-(3-nitrophenyl)cinchoninic acid Formula: C27H21N3O8 MolecularWeight: 515.47094

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2=NC3=C(C=C(C=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=C2)C(=O)O

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C2=NC3=C(C=C(C=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=C2)C(=O)O

InChI

InChI=1S/C27H21N3O8/c1-38-27(35)24(11-15-5-8-19(31)9-6-15)29-25(32)23-14-21(26(33)34)20-13-17(7-10-22(20)28-23)16-3-2-4-18(12-16)30(36)37/h2-10,12-14,24,31H,11H2,1H3,(H,29,32)(H,33,34)/t24-/m0/s1