1-[4-[[2-(dimethylamino)pyridin-4-yl]methylamino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[[2-(dimethylamino)pyridin-4-yl]methylamino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[[2-(dimethylamino)-4-pyridyl]methylamino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[[2-(dimethylamino)-4-pyridinyl]methylamino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[[2-(dimethylamino)pyridin-4-yl]methylamino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[[2-(dimethylamino)-4-pyridyl]methylamino]-3-nitro-phenyl]ethanone Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NCC2=CC(=NC=C2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NCC2=CC(=NC=C2)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O3/c1-11(21)13-4-5-14(15(9-13)20(22)23)18-10-12-6-7-17-16(8-12)19(2)3/h4-9,18H,10H2,1-3H3