4-[(1R)-2-azaniumyl-1-(2,3-dihydroindol-1-yl)ethyl]-2-nitro-phenolate

Systemtic Name: 4-[(1R)-2-azaniumyl-1-(2,3-dihydroindol-1-yl)ethyl]-2-nitro-phenolate Openeye Name: 4-[(1R)-2-azaniumyl-1-indolin-1-yl-ethyl]-2-nitro-phenolate CAS Name: 4-[(1R)-2-ammonio-1-(2,3-dihydroindol-1-yl)ethyl]-2-nitrophenolate IUPAC Name: 4-[(1R)-2-azaniumyl-1-(2,3-dihydroindol-1-yl)ethyl]-2-nitrophenolate Traditional Name: 4-[(1R)-2-ammonio-1-indolin-1-yl-ethyl]-2-nitro-phenolate Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(C[NH3+])C3=CC(=C(C=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(C2=CC=CC=C21)[C@@H](C[NH3+])C3=CC(=C(C=C3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O3/c17-10-15(12-5-6-16(20)14(9-12)19(21)22)18-8-7-11-3-1-2-4-13(11)18/h1-6,9,15,20H,7-8,10,17H2/t15-/m0/s1