[3-ethynyl-2-[[3-(3-nitrophenyl)-3-oxidanylidene-propanoyl]amino]phenyl]carbamic acid

Systemtic Name: [3-ethynyl-2-[[3-(3-nitrophenyl)-3-oxidanylidene-propanoyl]amino]phenyl]carbamic acid Openeye Name: [3-ethynyl-2-[[3-(3-nitrophenyl)-3-oxo-propanoyl]amino]phenyl]carbamic acid CAS Name: [3-ethynyl-2-[[3-(3-nitrophenyl)-1,3-dioxopropyl]amino]phenyl]carbamic acid IUPAC Name: [3-ethynyl-2-[[3-(3-nitrophenyl)-3-oxopropanoyl]amino]phenyl]carbamic acid Traditional Name: [3-ethynyl-2-[[3-keto-3-(3-nitrophenyl)propanoyl]amino]phenyl]carbamic acid Formula: C18H13N3O6 MolecularWeight: 367.31232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O6/c1-2-11-5-4-8-14(19-18(24)25)17(11)20-16(23)10-15(22)12-6-3-7-13(9-12)21(26)27/h1,3-9,19H,10H2,(H,20,23)(H,24,25)