N-[[2-(dimethylamino)pyridin-3-yl]methyl]-5-ethoxy-4-methoxy-2-nitro-benzamide

Systemtic Name: N-[[2-(dimethylamino)pyridin-3-yl]methyl]-5-ethoxy-4-methoxy-2-nitro-benzamide Openeye Name: N-[[2-(dimethylamino)-3-pyridyl]methyl]-5-ethoxy-4-methoxy-2-nitro-benzamide CAS Name: N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-ethoxy-4-methoxy-2-nitrobenzamide IUPAC Name: N-[[2-(dimethylamino)pyridin-3-yl]methyl]-5-ethoxy-4-methoxy-2-nitrobenzamide Traditional Name: N-[[2-(dimethylamino)-3-pyridyl]methyl]-5-ethoxy-4-methoxy-2-nitro-benzamide Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)NCC2=C(N=CC=C2)N(C)C)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)NCC2=C(N=CC=C2)N(C)C)[N+](=O)[O-])OC

InChI

InChI=1S/C18H22N4O5/c1-5-27-16-9-13(14(22(24)25)10-15(16)26-4)18(23)20-11-12-7-6-8-19-17(12)21(2)3/h6-10H,5,11H2,1-4H3,(H,20,23)