2-[2-[[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]benzoate

Systemtic Name: 2-[2-[[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]benzoate Openeye Name: 2-[2-[[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]benzoate CAS Name: 2-[2-[[[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]phenyl]benzoate IUPAC Name: 2-[2-[[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]benzoate Traditional Name: 2-[2-[[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]benzoate Formula: C22H13N4O5S- MolecularWeight: 445.42742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)[O-])C(=O)NC3=NN=C(S3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)[O-])C(=O)NC3=NN=C(S3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H14N4O5S/c27-19(17-10-3-1-8-15(17)16-9-2-4-11-18(16)21(28)29)23-22-25-24-20(32-22)13-6-5-7-14(12-13)26(30)31/h1-12H,(H,28,29)(H,23,25,27)/p-1