5-(hydroxymethyl)-2-methyl-4-[[2-[(4-nitrophenyl)amino]ethylamino]methylidene]pyridin-3-one

Systemtic Name: 5-(hydroxymethyl)-2-methyl-4-[[2-[(4-nitrophenyl)amino]ethylamino]methylidene]pyridin-3-one Openeye Name: 5-(hydroxymethyl)-2-methyl-4-[[2-(4-nitroanilino)ethylamino]methylene]pyridin-3-one CAS Name: 5-(hydroxymethyl)-2-methyl-4-[[2-(4-nitroanilino)ethylamino]methylidene]-3-pyridinone IUPAC Name: 5-(hydroxymethyl)-2-methyl-4-[[2-(4-nitroanilino)ethylamino]methylidene]pyridin-3-one Traditional Name: 2-methyl-5-methylol-4-[[2-(4-nitroanilino)ethylamino]methylene]pyridin-3-one Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNCCNC2=CC=C(C=C2)[N+](=O)[O-])C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CNCCNC2=CC=C(C=C2)[N+](=O)[O-])C1=O)CO

InChI

InChI=1S/C16H18N4O4/c1-11-16(22)15(12(10-21)8-19-11)9-17-6-7-18-13-2-4-14(5-3-13)20(23)24/h2-5,8-9,17-18,21H,6-7,10H2,1H3