4-chloranyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitro-benzamide

Systemtic Name: 4-chloranyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitro-benzamide Openeye Name: 4-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitro-benzamide CAS Name: 4-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide IUPAC Name: 4-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide Traditional Name: 4-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitro-benzamide Formula: C21H13ClN4O5S MolecularWeight: 468.86972

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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=CC(=C(C(=C4)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H13ClN4O5S/c1-11-2-7-15-18(8-11)32-21(24-15)12-3-5-14(6-4-12)23-20(27)13-9-16(25(28)29)19(22)17(10-13)26(30)31/h2-10H,1H3,(H,23,27)