2-[2-methoxy-6-[(4-nitrophenyl)carbamoyl]phenyl]selanylsulfanylbutanedioic acid

Systemtic Name: 2-[2-methoxy-6-[(4-nitrophenyl)carbamoyl]phenyl]selanylsulfanylbutanedioic acid Openeye Name: 2-[2-methoxy-6-[(4-nitrophenyl)carbamoyl]phenyl]selanylsulfanylbutanedioic acid CAS Name: 2-[[[2-methoxy-6-[(4-nitroanilino)-oxomethyl]phenyl]seleno]thio]butanedioic acid IUPAC Name: 2-[2-methoxy-6-[(4-nitrophenyl)carbamoyl]phenyl]selanylsulfanylbutanedioic acid Traditional Name: 2-[[[2-methoxy-6-[(4-nitrophenyl)carbamoyl]phenyl]seleno]thio]succinic acid Formula: C18H16N2O8SSe MolecularWeight: 499.35324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1[Se]SC(CC(=O)O)C(=O)O)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1[Se]SC(CC(=O)O)C(=O)O)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O8SSe/c1-28-13-4-2-3-12(16(13)30-29-14(18(24)25)9-15(21)22)17(23)19-10-5-7-11(8-6-10)20(26)27/h2-8,14H,9H2,1H3,(H,19,23)(H,21,22)(H,24,25)