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

Systemtic Name: N-(3-ethynylphenyl)-3-nitro-4-phenylazanyl-benzamide Openeye Name: 4-anilino-N-(3-ethynylphenyl)-3-nitro-benzamide CAS Name: 4-anilino-N-(3-ethynylphenyl)-3-nitrobenzamide IUPAC Name: 4-anilino-N-(3-ethynylphenyl)-3-nitrobenzamide Traditional Name: 4-anilino-N-(3-ethynylphenyl)-3-nitro-benzamide Formula: C21H15N3O3 MolecularWeight: 357.3621

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O3/c1-2-15-7-6-10-18(13-15)23-21(25)16-11-12-19(20(14-16)24(26)27)22-17-8-4-3-5-9-17/h1,3-14,22H,(H,23,25)