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

Systemtic Name: (E)-3-[8-chloranyl-3-methoxy-2,5-bis(oxidanylidene)-1H-1-benzazepin-4-yl]prop-2-enoic acid Openeye Name: (E)-3-(8-chloro-3-methoxy-2,5-dioxo-1H-1-benzazepin-4-yl)prop-2-enoic acid CAS Name: (E)-3-(8-chloro-3-methoxy-2,5-dioxo-1H-1-benzazepin-4-yl)-2-propenoic acid IUPAC Name: (E)-3-(8-chloro-3-methoxy-2,5-dioxo-1H-1-benzazepin-4-yl)prop-2-enoic acid Traditional Name: (E)-3-(8-chloro-2,5-diketo-3-methoxy-1H-1-benzazepin-4-yl)acrylic acid Formula: C14H10ClNO5 MolecularWeight: 307.6859

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10ClNO5/c1-21-13-9(4-5-11(17)18)12(19)8-3-2-7(15)6-10(8)16-14(13)20/h2-6H,1H3,(H,16,20)(H,17,18)/b5-4+