2-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[2-(2-ethylanilino)-2-oxo-ethyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[2-(2-ethylanilino)-2-oxoethyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[2-(2-ethylanilino)-2-oxoethyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[2-(2-ethylanilino)-2-keto-ethyl]iminomethyl]-4-nitro-phenolate Formula: C17H16N3O4- MolecularWeight: 326.32664

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H17N3O4/c1-2-12-5-3-4-6-15(12)19-17(22)11-18-10-13-9-14(20(23)24)7-8-16(13)21/h3-10,21H,2,11H2,1H3,(H,19,22)/p-1