2-[(2-chloranyl-4-ethynyl-phenyl)amino]-N-(cyclopropylmethoxy)-4-nitro-benzamide

Systemtic Name: 2-[(2-chloranyl-4-ethynyl-phenyl)amino]-N-(cyclopropylmethoxy)-4-nitro-benzamide Openeye Name: 2-(2-chloro-4-ethynyl-anilino)-N-(cyclopropylmethoxy)-4-nitro-benzamide CAS Name: 2-(2-chloro-4-ethynylanilino)-N-(cyclopropylmethoxy)-4-nitrobenzamide IUPAC Name: 2-(2-chloro-4-ethynylanilino)-N-(cyclopropylmethoxy)-4-nitrobenzamide Traditional Name: 2-(2-chloro-4-ethynyl-anilino)-N-(cyclopropylmethoxy)-4-nitro-benzamide Formula: C19H16ClN3O4 MolecularWeight: 385.80104

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=C(C=C1)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)NOCC3CC3)Cl

Isomeric SMILES

C#CC1=CC(=C(C=C1)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)NOCC3CC3)Cl

InChI

InChI=1S/C19H16ClN3O4/c1-2-12-5-8-17(16(20)9-12)21-18-10-14(23(25)26)6-7-15(18)19(24)22-27-11-13-3-4-13/h1,5-10,13,21H,3-4,11H2,(H,22,24)