N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-3-nitro-benzamide

Systemtic Name: N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-3-nitro-benzamide Openeye Name: N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-3-nitro-benzamide CAS Name: N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-3-nitrobenzamide IUPAC Name: N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-3-nitrobenzamide Traditional Name: N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-3-nitro-benzamide Formula: C21H15N3O4S MolecularWeight: 405.4265

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O4S/c1-28-17-9-10-18-19(12-17)29-21(23-18)13-5-7-15(8-6-13)22-20(25)14-3-2-4-16(11-14)24(26)27/h2-12H,1H3,(H,22,25)