2-[3-[ethyl(phenyl)amino]propyliminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[3-[ethyl(phenyl)amino]propyliminomethyl]-4-nitro-phenolate Openeye Name: 2-[3-(N-ethylanilino)propyliminomethyl]-4-nitro-phenolate CAS Name: 2-[3-(N-ethylanilino)propyliminomethyl]-4-nitrophenolate IUPAC Name: 2-[3-(N-ethylanilino)propyliminomethyl]-4-nitrophenolate Traditional Name: 2-[3-(N-ethylanilino)propyliminomethyl]-4-nitro-phenolate Formula: C18H20N3O3- MolecularWeight: 326.3697

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCN=CC1=C(C=CC(=C1)[N+](=O)[O-])[O-])C2=CC=CC=C2

Isomeric SMILES

CCN(CCCN=CC1=C(C=CC(=C1)[N+](=O)[O-])[O-])C2=CC=CC=C2

InChI

InChI=1S/C18H21N3O3/c1-2-20(16-7-4-3-5-8-16)12-6-11-19-14-15-13-17(21(23)24)9-10-18(15)22/h3-5,7-10,13-14,22H,2,6,11-12H2,1H3/p-1