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

Systemtic Name: N-(cyclopropylmethoxy)-2-[(4-ethynyl-2-methyl-phenyl)amino]-4-nitro-benzamide Openeye Name: N-(cyclopropylmethoxy)-2-(4-ethynyl-2-methyl-anilino)-4-nitro-benzamide CAS Name: N-(cyclopropylmethoxy)-2-(4-ethynyl-2-methylanilino)-4-nitrobenzamide IUPAC Name: N-(cyclopropylmethoxy)-2-(4-ethynyl-2-methylanilino)-4-nitrobenzamide Traditional Name: N-(cyclopropylmethoxy)-2-(4-ethynyl-2-methyl-anilino)-4-nitro-benzamide Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4/c1-3-14-6-9-18(13(2)10-14)21-19-11-16(23(25)26)7-8-17(19)20(24)22-27-12-15-4-5-15/h1,6-11,15,21H,4-5,12H2,2H3,(H,22,24)