4-(cyclopropylamino)-N-(3-ethynylphenyl)-3-nitro-benzamide

Systemtic Name: 4-(cyclopropylamino)-N-(3-ethynylphenyl)-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-(3-ethynylphenyl)-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-(3-ethynylphenyl)-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-(3-ethynylphenyl)-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-(3-ethynylphenyl)-3-nitro-benzamide Formula: C18H15N3O3 MolecularWeight: 321.33

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O3/c1-2-12-4-3-5-15(10-12)20-18(22)13-6-9-16(19-14-7-8-14)17(11-13)21(23)24/h1,3-6,9-11,14,19H,7-8H2,(H,20,22)