(2Z)-2-[(1R)-4-methoxy-3-methyl-1-nitro-1,2-dihydro-2-benzazepin-5-ylidene]-2-(pyridin-4-ylamino)ethanoic acid

Systemtic Name: (2Z)-2-[(1R)-4-methoxy-3-methyl-1-nitro-1,2-dihydro-2-benzazepin-5-ylidene]-2-(pyridin-4-ylamino)ethanoic acid Openeye Name: (2Z)-2-[(1R)-4-methoxy-3-methyl-1-nitro-1,2-dihydro-2-benzazepin-5-ylidene]-2-(4-pyridylamino)acetic acid CAS Name: (2Z)-2-[(1R)-4-methoxy-3-methyl-1-nitro-1,2-dihydro-2-benzazepin-5-ylidene]-2-(pyridin-4-ylamino)acetic acid IUPAC Name: (2Z)-2-[(1R)-4-methoxy-3-methyl-1-nitro-1,2-dihydro-2-benzazepin-5-ylidene]-2-(pyridin-4-ylamino)acetic acid Traditional Name: (2Z)-2-[(1R)-4-methoxy-3-methyl-1-nitro-1,2-dihydro-2-benzazepin-5-ylidene]-2-(4-pyridylamino)acetic acid Formula: C19H18N4O5 MolecularWeight: 382.37002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(/C(=C(/C(=O)O)\NC2=CC=NC=C2)/C3=CC=CC=C3[C@H](N1)[N+](=O)[O-])OC

InChI

InChI=1S/C19H18N4O5/c1-11-17(28-2)15(16(19(24)25)22-12-7-9-20-10-8-12)13-5-3-4-6-14(13)18(21-11)23(26)27/h3-10,18,21H,1-2H3,(H,20,22)(H,24,25)/b16-15-/t18-/m1/s1