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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C2=CC=CC=C2C(NC(=C1[N+](=O)[O-])OC)C(=O)O)NC3=CC=NC=C3

Isomeric SMILES

CC(=C1C2=CC=CC=C2[C@H](NC(=C1[N+](=O)[O-])OC)C(=O)O)NC3=CC=NC=C3

InChI

InChI=1S/C19H18N4O5/c1-11(21-12-7-9-20-10-8-12)15-13-5-3-4-6-14(13)16(19(24)25)22-18(28-2)17(15)23(26)27/h3-10,16,22H,1-2H3,(H,20,21)(H,24,25)/t16-/m0/s1