2-[[3,5-bis(bromanyl)pyridin-2-yl]-(3-nitrophenyl)carbonyl-carbamoyl]benzoic acid

Systemtic Name: 2-[[3,5-bis(bromanyl)pyridin-2-yl]-(3-nitrophenyl)carbonyl-carbamoyl]benzoic acid Openeye Name: 2-[(3,5-dibromo-2-pyridyl)-(3-nitrobenzoyl)carbamoyl]benzoic acid CAS Name: 2-[[(3,5-dibromo-2-pyridinyl)-[(3-nitrophenyl)-oxomethyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(3,5-dibromopyridin-2-yl)-(3-nitrobenzoyl)carbamoyl]benzoic acid Traditional Name: 2-[(3,5-dibromo-2-pyridyl)-(3-nitrobenzoyl)carbamoyl]benzoic acid Formula: C20H11Br2N3O6 MolecularWeight: 549.12584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)N(C2=C(C=C(C=N2)Br)Br)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N(C2=C(C=C(C=N2)Br)Br)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H11Br2N3O6/c21-12-9-16(22)17(23-10-12)24(18(26)11-4-3-5-13(8-11)25(30)31)19(27)14-6-1-2-7-15(14)20(28)29/h1-10H,(H,28,29)