3-nitro-4-phenylazanyl-N-prop-2-ynyl-benzamide

Systemtic Name: 3-nitro-4-phenylazanyl-N-prop-2-ynyl-benzamide Openeye Name: 4-anilino-3-nitro-N-prop-2-ynyl-benzamide CAS Name: 4-anilino-3-nitro-N-prop-2-ynylbenzamide IUPAC Name: 4-anilino-3-nitro-N-prop-2-ynylbenzamide Traditional Name: 4-anilino-3-nitro-N-propargyl-benzamide Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O3/c1-2-10-17-16(20)12-8-9-14(15(11-12)19(21)22)18-13-6-4-3-5-7-13/h1,3-9,11,18H,10H2,(H,17,20)