N-carbamimidoyl-N-(5-nitropyridin-3-yl)oxy-4-(trifluoromethyl)-1H-indole-2-carboxamide

Systemtic Name: N-carbamimidoyl-N-(5-nitropyridin-3-yl)oxy-4-(trifluoromethyl)-1H-indole-2-carboxamide Openeye Name: N-carbamimidoyl-N-[(5-nitro-3-pyridyl)oxy]-4-(trifluoromethyl)-1H-indole-2-carboxamide CAS Name: N-carbamimidoyl-N-[(5-nitro-3-pyridinyl)oxy]-4-(trifluoromethyl)-1H-indole-2-carboxamide IUPAC Name: N-carbamimidoyl-N-(5-nitropyridin-3-yl)oxy-4-(trifluoromethyl)-1H-indole-2-carboxamide Traditional Name: N-amidino-N-[(5-nitro-3-pyridyl)oxy]-4-(trifluoromethyl)-1H-indole-2-carboxamide Formula: C16H11F3N6O4 MolecularWeight: 408.29155

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(NC2=C1)C(=O)N(C(=N)N)OC3=CN=CC(=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=C2C=C(NC2=C1)C(=O)N(C(=N)N)OC3=CN=CC(=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C16H11F3N6O4/c17-16(18,19)11-2-1-3-12-10(11)5-13(23-12)14(26)24(15(20)21)29-9-4-8(25(27)28)6-22-7-9/h1-7,23H,(H3,20,21)