4-methoxy-3-methyl-5-[nitro-(pyridin-4-ylamino)methylidene]-1,2-dihydro-2-benzazepine-1-carboxylic acid

Systemtic Name: 4-methoxy-3-methyl-5-[nitro-(pyridin-4-ylamino)methylidene]-1,2-dihydro-2-benzazepine-1-carboxylic acid Openeye Name: 4-methoxy-3-methyl-5-[nitro-(4-pyridylamino)methylene]-1,2-dihydro-2-benzazepine-1-carboxylic acid CAS Name: 4-methoxy-3-methyl-5-[nitro-(pyridin-4-ylamino)methylidene]-1,2-dihydro-2-benzazepine-1-carboxylic acid IUPAC Name: 4-methoxy-3-methyl-5-[nitro-(pyridin-4-ylamino)methylidene]-1,2-dihydro-2-benzazepine-1-carboxylic acid Traditional Name: 4-methoxy-3-methyl-5-[nitro-(4-pyridylamino)methylene]-1,2-dihydro-2-benzazepine-1-carboxylic acid Formula: C19H18N4O5 MolecularWeight: 382.37002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(NC2=CC=NC=C2)[N+](=O)[O-])C3=CC=CC=C3C(N1)C(=O)O)OC

Isomeric SMILES

CC1=C(C(=C(NC2=CC=NC=C2)[N+](=O)[O-])C3=CC=CC=C3C(N1)C(=O)O)OC

InChI

InChI=1S/C19H18N4O5/c1-11-17(28-2)15(18(23(26)27)22-12-7-9-20-10-8-12)13-5-3-4-6-14(13)16(21-11)19(24)25/h3-10,16,21H,1-2H3,(H,20,22)(H,24,25)