2-[[8-chloranyl-3-methoxy-2,5-bis(oxidanylidene)-1H-1-benzazepin-4-yl]methyl]prop-2-enoic acid

Systemtic Name: 2-[[8-chloranyl-3-methoxy-2,5-bis(oxidanylidene)-1H-1-benzazepin-4-yl]methyl]prop-2-enoic acid Openeye Name: 2-[(8-chloro-3-methoxy-2,5-dioxo-1H-1-benzazepin-4-yl)methyl]prop-2-enoic acid CAS Name: 2-[(8-chloro-3-methoxy-2,5-dioxo-1H-1-benzazepin-4-yl)methyl]-2-propenoic acid IUPAC Name: 2-[(8-chloro-3-methoxy-2,5-dioxo-1H-1-benzazepin-4-yl)methyl]prop-2-enoic acid Traditional Name: 2-[(8-chloro-2,5-diketo-3-methoxy-1H-1-benzazepin-4-yl)methyl]acrylic acid Formula: C15H12ClNO5 MolecularWeight: 321.71248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)C2=C(C=C(C=C2)Cl)NC1=O)CC(=C)C(=O)O

Isomeric SMILES

COC1=C(C(=O)C2=C(C=C(C=C2)Cl)NC1=O)CC(=C)C(=O)O

InChI

InChI=1S/C15H12ClNO5/c1-7(15(20)21)5-10-12(18)9-4-3-8(16)6-11(9)17-14(19)13(10)22-2/h3-4,6H,1,5H2,2H3,(H,17,19)(H,20,21)