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

Systemtic Name: 2-[3-[methyl(phenyl)amino]propyliminomethyl]-4-nitro-phenolate Openeye Name: 2-[3-(N-methylanilino)propyliminomethyl]-4-nitro-phenolate CAS Name: 2-[3-(N-methylanilino)propyliminomethyl]-4-nitrophenolate IUPAC Name: 2-[3-(N-methylanilino)propyliminomethyl]-4-nitrophenolate Traditional Name: 2-[3-(N-methylanilino)propyliminomethyl]-4-nitro-phenolate Formula: C17H18N3O3- MolecularWeight: 312.34312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3/c1-19(15-6-3-2-4-7-15)11-5-10-18-13-14-12-16(20(22)23)8-9-17(14)21/h2-4,6-9,12-13,21H,5,10-11H2,1H3/p-1