methyl 3-[[3-methoxy-4-(pyridin-3-ylcarbonylamino)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[3-methoxy-4-(pyridin-3-ylcarbonylamino)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[3-methoxy-4-[[oxo(3-pyridinyl)methyl]amino]anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(3-methoxy-4-nicotinamido-phenyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C22H18N4O7 MolecularWeight: 450.40092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)NC(=O)C3=CN=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H18N4O7/c1-32-19-11-16(5-6-18(19)25-20(27)13-4-3-7-23-12-13)24-21(28)14-8-15(22(29)33-2)10-17(9-14)26(30)31/h3-12H,1-2H3,(H,24,28)(H,25,27)