2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]-3-nitro-benzoic acid

Systemtic Name: 2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]-3-nitro-benzoic acid Openeye Name: 2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]-3-nitro-benzoic acid CAS Name: 2-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-oxomethyl]-3-nitrobenzoic acid IUPAC Name: 2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]-3-nitrobenzoic acid Traditional Name: 2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]-3-nitro-benzoic acid Formula: C22H15N3O5S MolecularWeight: 433.4366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=C(C=CC=C4[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=C(C=CC=C4[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H15N3O5S/c1-12-5-10-16-18(11-12)31-21(24-16)13-6-8-14(9-7-13)23-20(26)19-15(22(27)28)3-2-4-17(19)25(29)30/h2-11H,1H3,(H,23,26)(H,27,28)