ethyl 3-[[6-(dimethylamino)pyridin-3-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[6-(dimethylamino)pyridin-3-yl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[6-(dimethylamino)-3-pyridyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[6-(dimethylamino)-3-pyridinyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(dimethylamino)pyridin-3-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[6-(dimethylamino)-3-pyridyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C17H18N4O5 MolecularWeight: 358.34862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CN=C(C=C2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CN=C(C=C2)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O5/c1-4-26-17(23)12-7-11(8-14(9-12)21(24)25)16(22)19-13-5-6-15(18-10-13)20(2)3/h5-10H,4H2,1-3H3,(H,19,22)