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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(C2=CC=CC=C2C1=C([N+](=O)[O-])OC)C(=O)O)NC3=CC=NC=C3

Isomeric SMILES

CC1=C(NC(C2=CC=CC=C2C1=C([N+](=O)[O-])OC)C(=O)O)NC3=CC=NC=C3

InChI

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