N-(5-chloranyl-6-methoxy-1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(5-chloranyl-6-methoxy-1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidino-benzamide Formula: C19H17ClN4O4S MolecularWeight: 432.88068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)SC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)SC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H17ClN4O4S/c1-28-16-10-17-13(9-12(16)20)21-19(29-17)22-18(25)11-4-5-14(15(8-11)24(26)27)23-6-2-3-7-23/h4-5,8-10H,2-3,6-7H2,1H3,(H,21,22,25)