N-(3-ethynylphenyl)-4-[(4-nitrophenyl)amino]butanamide

Systemtic Name: N-(3-ethynylphenyl)-4-[(4-nitrophenyl)amino]butanamide Openeye Name: N-(3-ethynylphenyl)-4-(4-nitroanilino)butanamide CAS Name: N-(3-ethynylphenyl)-4-(4-nitroanilino)butanamide IUPAC Name: N-(3-ethynylphenyl)-4-(4-nitroanilino)butanamide Traditional Name: N-(3-ethynylphenyl)-4-(4-nitroanilino)butyramide Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)CCCNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)CCCNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O3/c1-2-14-5-3-6-16(13-14)20-18(22)7-4-12-19-15-8-10-17(11-9-15)21(23)24/h1,3,5-6,8-11,13,19H,4,7,12H2,(H,20,22)